(2S)-2-Amino-N-[(1R)-1-[[(1R)-1-(Carbamoylmethylcarbamoyl)-2-Phenyl-Ethyl]Carbamoyl]Ethyl]-3-(4-Hydroxyphenyl)Propanamide
[CAS# 97992-01-3]

Identification

• Name: (2S)-2-Amino-N-[(1R)-1-[[(1R)-1-(Carbamoylmethylcarbamoyl)-2-Phenyl-Ethyl]Carbamoyl]Ethyl]-3-(4-Hydroxyphenyl)Propanamide
• Synonyms: (2R)-2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]-N-(2-Amino-2-Oxo-Ethyl)-3-Phenyl-Propanamide; (2R)-2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-N-(2-Amino-2-Oxoethyl)-3-Phenylpropana
• Molecular Formula: C₂₃H₂₉N₅O₅
• Molecular Weight: 455.51
• CAS Registry Number: 97992-01-3
• SMILES: [C@H](NC(=O)[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C)(C(=O)NCC(=O)N)CC2=CC=CC=C2
• InChI: 1S/C23H29N5O5/c1-14(27-22(32)18(24)11-16-7-9-17(29)10-8-16)21(31)28-19(23(33)26-13-20(25)30)12-15-5-3-2-4-6-15/h2-10,14,18-19,29H,11-13,24H2,1H3,(H2,25,30)(H,26,33)(H,27,32)(H,28,31)/t14-,18+,19-/m1/s1
• InChIKey: JWZLANUHRXGDET-MDASCCDHSA-N

Properties

• Density: 1.289g/cm³ (Cal.)
• Boiling point: 920.748°C at 760 mmHg (Cal.)
• Flash point: 510.65°C (Cal.)