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labradimil

Molecular FormulaC₄₉H₇₅N₁₅O₁₂S
Average mass1098.278 Da
Monoisotopic mass1097.544067 Da
ChemSpider ID5293490

- 9 of 9 defined stereocentres

More details:

Names and Synonyms
Database ID(s)

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

(S-(R*,R*))-L-Arginyl-L-prolyl-trans-4-hydroxy-L-prolyl-3-(2-thienyl)-L-alanylglycyl-L-seryl-N-(2-((4-((aminoiminomethyl)amino)-1-carboxybutyl)amino)-1-((4-methoxyphenyl)methyl)ethyl)-L-prolinamide

159768-75-9 [RN]

2MK663C346

labradimil [INN]

labradimil [French] [INN]

labradimil [Spanish] [INN]

labradimilum [Latin] [INN]

L-Arginyl-L-prolyl-(4R)-4-hydroxy-L-prolylglycyl-3-(2-thienyl)-L-alanyl-L-seryl-N-[(2S)-1-{[(1S)-4-carbamimidamido-1-carboxybutyl]amino}-3-(4-methoxyphenyl)propan-2-yl]-L-prolinamide

L-arginyl-L-prolyl-(4R)-4-hydroxy-L-prolylglycyl-3-(thiophen-2-yl)-L-alanyl-L-seryl-N-[(2S)-1-{[(1S)-4-carbamimidamido-1-carboxybutyl]amino}-3-(4-methoxyphenyl)propan-2-yl]-L-prolinamide

Lobradimil

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L-Prolinamide, N⁵-(diaminomethylene)-L-ornithyl-L-prolyl-(4R)-4-hydroxy-L-prolylglycyl-3-(2-thienyl)-L-alanyl-L-seryl-N-[(1S)-2-[[(1S)-1-carboxy-4-[(diaminomethylene)amino]butyl]amino]-1-[(4-methoxy ;phenyl)methyl]ethyl]- [ACD/Index Name]

N⁵-(Diaminomethylen)-L-ornithyl-L-prolyl-(4R)-4-hydroxy-L-prolylglycyl-3-(2-thienyl)-L-alanyl-L-seryl-N-[(2S)-1-({(1S)-1-carboxy-4-[(diaminomethylen)amino]butyl}amino)-3-(4-methoxyphenyl)-2-propanyl ]-L-prolinamid [German] [ACD/IUPAC Name]

N⁵-(Diaminomethylene)-L-ornithyl-L-prolyl-(4R)-4-hydroxy-L-prolylglycyl-3-(2-thienyl)-L-alanyl-L-seryl-N-[(2S)-1-({(1S)-1-carboxy-4-[(diaminomethylene)amino]butyl}amino)-3-(4-methoxyphenyl)-2-propan yl]-L-prolinamide [ACD/IUPAC Name]

N⁵-(Diaminométhylène)-L-ornithyl-L-prolyl-(4R)-4-hydroxy-L-prolylglycyl-3-(2-thiényl)-L-alanyl-L-séryl-N-[(2S)-1-({(1S)-1-carboxy-4-[(diaminométhylène)amino]butyl}amino)-3-(4-méthoxyphényl)-2-propan yl]-L-prolinamide [French] [ACD/IUPAC Name]

N2-((S)-2-(L-Arginyl-L-prolyl-trans-4-hydroxy-L-prolylglycyl-3-(2-thienyl)-L-alanyl-L-seryl-L-prolinamido)-3-(p-methoxyphenyl)propyl)-L-arginine

лабрадимил [Russian] [INN]

لابراديميل [Arabic] [INN]

拉雷地米 [Chinese] [INN]

(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-methoxyphenyl)propyl]amino]-5-(diaminomethylideneamino)pentanoic acid

(Hyp3,β-(2-thienyl)-Ala5,Tyr(Me)8-(R)-Arg9)-Bradykinin

[Hyp3<;/sup>,Thi5,4-Me-Tyr8&ψ;(CH2<;/sub>-NH)Arg<;sup>9]bradykinin

[Hyp3<;/sup>,Thi5,4-Me-Tyr8&ψ;(CH2<;/sub>-NH)Arg<;sup>9]bradykinin|cereport|lobradimil|RMP-7

173220-35-4 [RN]

Cereport

H-Arg-Pro-Hyp-Gly-b-(2-thienyl)-Ala-Ser-Pro-Tyr(Me)-ψ(CH2NH)Arg-OH

RMP 7

UNII:2MK663C346

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

7745 [DBID]

DRG 0182 [DBID]

RMP-7 [DBID]

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon

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:	1.703
Molar Refractivity:	276.8±0.5 cm³
#H bond acceptors:	27
#H bond donors:	18
#Freely Rotating Bonds:	29
#Rule of 5 Violations:	3

ACD/LogP:	-1.96
ACD/LogD (pH 5.5):	-8.44
ACD/BCF (pH 5.5):	1.00
ACD/KOC (pH 5.5):	1.00
ACD/LogD (pH 7.4):	-7.80
ACD/BCF (pH 7.4):	1.00
ACD/KOC (pH 7.4):	1.00
Polar Surface Area:	459 Å²
Polarizability:	109.8±0.5 10^-24cm³
Surface Tension:	70.9±7.0 dyne/cm
Molar Volume:	714.1±7.0 cm³

Click to predict properties on the Chemicalize site

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labradimil

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