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Goserelin

Molecular FormulaC₅₉H₈₄N₁₈O₁₄
Average mass1269.411 Da
Monoisotopic mass1268.641479 Da
ChemSpider ID4470656

- 9 of 9 defined stereocentres

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S)-N-[(1S,4S,7S,10S,13R,16S,19S)-24-Amino-13-(tert-butoxymethyl)-19-({(2S)-2-[(2-carbamoylhydrazino)carbonyl]pyrrolidin-1-yl}carbonyl)-10-(4-hydroxybenzyl)-7-(hydroxymethyl)-1-(1H-imidazol-4-ylmethyl)-24-imino-4-(1H-indol-3-ylmethyl)-16-(2-methylpropyl)-2,5,8,11,14,17-hexaoxo-3,6,9,12,15,18,23-heptaazatetracos-1-yl]-5-oxopyrrolidin-2-carboxamid

(2S)-N-[(1S,4S,7S,10S,13R,16S,19S)-24-amino-13-(tert-butoxymethyl)-19-({(2S)-2-[(2-carbamoylhydrazino)carbonyl]pyrrolidin-1-yl}carbonyl)-10-(4-hydroxybenzyl)-7-(hydroxymethyl)-1-(1H-imidazol-4-ylmethyl)-24-imino-4-(1H-indol-3-ylmethyl)-16-(2-methylpropyl)-2,5,8,11,14,17-hexaoxo-3,6,9,12,15,18,23-heptaazatetracos-1-yl]-5-oxopyrrolidine-2-carboxamide

(2S)-N-[(1S,4S,7S,10S,13R,16S,19S)-24-amino-19-({(2S)-2-[(2-carbamoylhydrazino)carbonyl]pyrrolidin-1-yl}carbonyl)-13-[(1,1-diméthyléthoxy)méthyl]-10-(4-hydroxybenzyl)-7-(hydroxyméthyl)-1-(1H-imidazol-4-ylméthyl)-24-imino-4-(1H-indol-3-ylméthyl)-16-(2-méthylpropyl)-2,5,8,11,14,17-hexaoxo-3,6,9,12,15,18,23-heptaazatétracos-1-yl]-5-oxopyrrolidine-2-carboxamide

(2S)-N-[(2S,5S,8S,11S,14R,17S,20S)-25-Amino-14-(tert-butoxymethyl)-20-({(2S)-2-[(2-carbamoylhydrazino)carbonyl]pyrrolidin-1-yl}carbonyl)-11-(4-hydroxybenzyl)-8-(hydroxymethyl)-1-(1H-imidazol-4-yl)-25-imino-5-(1H-indol-3-ylmethyl)-17-isobutyl-3,6,9,12,15,18-hexaoxo-4,7,10,13,16,19,24-heptaazapentacosan-2-yl]-5-oxopyrrolidine-2-carboxamide (non-preferred name)

(2S)-N-[(2S,5S,8S,11S,14R,17S,20S)-25-amino-14-(tert-butoxymethyl)-20-({(2S)-2-[(2-carbamoylhydrazinyl)carbonyl]pyrrolidin-1-yl}carbonyl)-11-(4-hydroxybenzyl)-8-(hydroxymethyl)-1-(1H-imidazol-4-yl)-25-imino-5-(1H-indol-3-ylmethyl)-17-(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-4,7,10,13,16,19,24-heptaazapentacosan-2-yl]-5-oxopyrrolidine-2-carboxamide (non-preferred name)

0F65R8P09N

1-(5-Oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-O-tert-butyl-D-seryl-L-leucyl-L-arginyl-L-prolyl)semicarbazide

2-Pyrrolidinecarboxylic acid, 1-[(2S,5S,8R,11S,14S,17S,20S)-2-[3-[(aminoiminomethyl)amino]propyl]-8-[(1,1-dimethylethoxy)methyl]-14-(hydroxymethyl)-11-[(4-hydroxyphenyl)methyl]-20-(1H-imidazol-4-ylmet hyl)-17-(1H-indol-3-ylmethyl)-5-(2-methylpropyl)-1,4,7,10,13,16,19,22-octaoxo-22-[(2S)-5-oxo-2-pyrrolidinyl]-3,6,9,12,15,18,21-heptaazadocos-1-yl]-, 2-(aminocarbonyl)hydrazide, (2S)- [ACD/Index Name]

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5-Oxo-L-prolyl-L-histidyl-N-[(1S,4S,7R,10S,13S)-18-amino-13-({(2S)-2-[(2-carbamoylhydrazino)carbonyl]-1-pyrrolidinyl}carbonyl)-4-(4-hydroxybenzyl)-1-(hydroxymethyl)-18-imino-10-isobutyl-7-{[(2-methyl- 2-propanyl)oxy]methyl}-2,5,8,11-tetraoxo-3,6,9,12,17-pentaazaoctadec-1-yl]-L-tryptophanamid [German] [ACD/IUPAC Name]

5-Oxo-L-prolyl-L-histidyl-N-[(1S,4S,7R,10S,13S)-18-amino-13-({(2S)-2-[(2-carbamoylhydrazino)carbonyl]-1-pyrrolidinyl}carbonyl)-4-(4-hydroxybenzyl)-1-(hydroxyméthyl)-18-imino-10-isobutyl-7-{[(2-méthyl- 2-propanyl)oxy]méthyl}-2,5,8,11-tétraoxo-3,6,9,12,17-pentaazaoctadéc-1-yl]-L-tryptophaneamide [French] [ACD/IUPAC Name]

65807-02-5 [RN]

Decapeptide I

Goserelin

(2S)-1-[(2S)-2-[(2S)-2-[(2R)-3-(tert-butoxy)-2-[(2S)-2-[(2S)-3-hydroxy-2-[(2S)-2-[(2S)-3-(1H-imidazol-5-yl)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanamido]-3-(1H-indol-3-yl)propanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]propanamido]-4-methylpentanamido]-5-[(diaminomethylidene)amino]pentanoyl]-N-(carbamoylamino)pyrrolidine-2-carboxamide

(2S)-1-[(2S)-2-[(2S)-2-[(2R)-3-(tert-butoxy)-2-[(2S)-2-[(2S)-3-hydroxy-2-[(2S)-2-[(2S)-3-(3H-imidazol-4-yl)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanamido]-3-(1H-indol-3-yl)propanamido]propanamid

(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(carbamoylamino)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide

(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(carbamoylamino)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(3H-imidazol-4-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide

(d-ser(tbu)6,azagly10)-lhrh (free base)

[D-Ser(tBu)6,Azagly10]-LHRH acetate salt

decapeptide I|ICI 118630|Zoladex®

HS-2015

Human Goserelin

ICI118630

ICI118630;Zoladex;ICI-118630;ICI 118630

MFCD00867894 [MDL number]

MFCD01747329

MFCD30179332

o]-3-(4-hydroxyphenyl)propanamido]propanamido]-4-methylpentanamido]-5-[(diaminomethylidene)amino]pentanoyl]-N-(carbamoylamino)pyrrolidine-2-carboxamide

UNII:0F65R8P09N

Zoladex [Trade name]

Zoladex®

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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5943 [DBID]

145781-92-6 65807-02-5 [DBID]

ICI 118630 [DBID]

ICI-118630 [DBID]

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon
Predicted - Mcule

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:	1.5±0.1 g/cm³
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:	1.692
Molar Refractivity:	323.7±0.5 cm³
#H bond acceptors:	32
#H bond donors:	20
#Freely Rotating Bonds:	34
#Rule of 5 Violations:	3

ACD/LogP:	-0.95
ACD/LogD (pH 5.5):	-5.32
ACD/BCF (pH 5.5):	1.00
ACD/KOC (pH 5.5):	1.00
ACD/LogD (pH 7.4):	-4.35
ACD/BCF (pH 7.4):	1.00
ACD/KOC (pH 7.4):	1.00
Polar Surface Area:	493 Å²
Polarizability:	128.3±0.5 10^-24cm³
Surface Tension:	65.8±7.0 dyne/cm
Molar Volume:	844.7±7.0 cm³

Click to predict properties on the Chemicalize site

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Goserelin

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