ChemSpider 2D Image | L-Tyrosyl-N~5~-(diaminomethylene)-D-ornithyl-L-phenylalanyl-beta-alaninamide | C27H38N8O5

L-Tyrosyl-N5-(diaminomethylene)-D-ornithyl-L-phenylalanyl-β-alaninamide

  • Molecular FormulaC27H38N8O5
  • Average mass554.641 Da
  • Monoisotopic mass554.296509 Da
  • ChemSpider ID116722

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Tyrosyl-N5-(diaminomethylen)-D-ornithyl-L-phenylalanyl-β-alaninamid [German] [ACD/IUPAC Name]
L-Tyrosyl-N5-(diaminomethylene)-D-ornithyl-L-phenylalanyl-β-alaninamide [ACD/IUPAC Name]
L-Tyrosyl-N5-(diaminométhylène)-D-ornithyl-L-phénylalanyl-β-alaninamide [French] [ACD/IUPAC Name]
L-tyrosyl-N5-(diaminomethylidene)-D-ornithyl-L-phenylalanyl-β-alaninamide
β-Alaninamide, L-tyrosyl-N5-(diaminomethylene)-D-ornithyl-L-phenylalanyl- [ACD/Index Name]
(2R)-2-[(2S)-2-AMINO-3-(4-HYDROXYPHENYL)PROPANAMIDO]-N-[(1S)-1-[(2-CARBAMOYLETHYL)CARBAMOYL]-2-PHENYLETHYL]-5-[(DIAMINOMETHYLIDENE)AMINO]PENTANAMIDE
(R)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-5-guanidino-pentanoic acid [(S)-1-(2-carbamoyl-ethylcarbamoyl)-2-phenyl-ethyl]-amide
138228-38-3 [RN]
CHEMBL22321
L-Tyrosyl-D-arginyl-L-phenylalanyl-β-alaninamide
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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: 1.647
Molar Refractivity: 146.0±0.5 cm3
#H bond acceptors: 13
#H bond donors: 12
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: -0.36
ACD/LogD (pH 5.5): -4.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 241 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 61.1±7.0 dyne/cm
Molar Volume: 401.8±7.0 cm3

Click to predict properties on the Chemicalize site


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