ChemSpider 2D Image | UNII:XH7F04LXTF | C46H66N12O9

UNII:XH7F04LXTF

  • Molecular FormulaC46H66N12O9
  • Average mass931.091 Da
  • Monoisotopic mass930.507568 Da
  • ChemSpider ID2339529
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

L-Phenylalanine, N5-(diaminomethylene)-L-ornithyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl- [ACD/Index Name]
N5-(Diaminomethylen)-L-ornithyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-L-phenylalanin [German] [ACD/IUPAC Name]
N5-(Diaminomethylene)-L-ornithyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-L-phenylalanine [ACD/IUPAC Name]
N5-(Diaminométhylène)-L-ornithyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-L-phénylalanine [French] [ACD/IUPAC Name]
UNII:XH7F04LXTF
(2S)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-[(diaminomethylidene)amino]pentanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-(1H-imidazol-5-yl)
(2S)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-[(diaminomethylidene)amino]pentanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanoic acid
(2S)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-[(diaminomethylidene)amino]pentanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-(3H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanoic
(2S)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-AMINO-5-[(DIAMINOMETHYLIDENE)AMINO]PENTANAMIDO]-3-METHYLBUTANAMIDO]-3-(4-HYDROXYPHENYL)PROPANAMIDO]-3-METHYLPENTANAMIDO]-3-(3H-IMIDAZOL-4-YL)PROPANOYL]PYRROLIDIN-2-YL]FORMAMIDO}-3-PHENYLPROPANOIC ACID
12687-51-3 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.658
Molar Refractivity: 245.4±0.5 cm3
#H bond acceptors: 21
#H bond donors: 14
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 3
ACD/LogP: 2.49
ACD/LogD (pH 5.5): -3.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 342 Å2
Polarizability: 97.3±0.5 10-24cm3
Surface Tension: 58.7±7.0 dyne/cm
Molar Volume: 666.8±7.0 cm3

Click to predict properties on the Chemicalize site






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