ChemSpider 2D Image | (2S)-N-{(2S)-5-[(Diaminomethylene)amino]-1-[(4-nitrophenyl)amino]-1-oxo-2-pentanyl}-1-(D-phenylalanyl)-2-piperidinecarboxamide | C27H36N8O5

(2S)-N-{(2S)-5-[(Diaminomethylene)amino]-1-[(4-nitrophenyl)amino]-1-oxo-2-pentanyl}-1-(D-phenylalanyl)-2-piperidinecarboxamide

  • Molecular FormulaC27H36N8O5
  • Average mass552.625 Da
  • Monoisotopic mass552.280884 Da
  • ChemSpider ID110393

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S)-N-{(2S)-5-[(Diaminomethylen)amino]-1-[(4-nitrophenyl)amino]-1-oxo-2-pentanyl}-1-(D-phenylalanyl)-2-piperidincarboxamid [German] [ACD/IUPAC Name]
(2S)-N-{(2S)-5-[(Diaminomethylene)amino]-1-[(4-nitrophenyl)amino]-1-oxo-2-pentanyl}-1-(D-phenylalanyl)-2-piperidinecarboxamide [ACD/IUPAC Name]
(2S)-N-{(2S)-5-[(Diaminométhylène)amino]-1-[(4-nitrophényl)amino]-1-oxo-2-pentanyl}-1-(D-phénylalanyl)-2-pipéridinecarboxamide [French] [ACD/IUPAC Name]
2-Piperidinecarboxamide, 1-[(2R)-2-amino-1-oxo-3-phenylpropyl]-N-[(1S)-4-[(diaminomethylene)amino]-1-[[(4-nitrophenyl)amino]carbonyl]butyl]-, (2S)- [ACD/Index Name]
(2S)-2-{[(2S)-1-[(2R)-2-AMINO-3-PHENYLPROPANOYL]PIPERIDIN-2-YL]FORMAMIDO}-5-[(DIAMINOMETHYLIDENE)AMINO]-N-(4-NITROPHENYL)PENTANAMIDE
62354-65-8 [RN]
64815-81-2 [RN]
Chromogenic substrate S-2238
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide
H-D-Phenylalanyl-L-pipecolyl-arginine-nitroanilide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

S 2238 [DBID]
S-2238 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.667
Molar Refractivity: 146.4±0.5 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 2.55
ACD/LogD (pH 5.5): -3.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 215 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 63.3±7.0 dyne/cm
Molar Volume: 393.4±7.0 cm3

Click to predict properties on the Chemicalize site


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