Tyrosyl-Alanyl-Glycyl-Nitrophenylalanylamide
[CAS# 81733-82-6]

Identification

• Name: Tyrosyl-Alanyl-Glycyl-Nitrophenylalanylamide
• Synonyms: (2S)-2-Amino-N-[(1R)-2-[[2-[[(2S)-2-Amino-3-(4-Nitrophenyl)Propanoyl]Amino]-2-Oxo-Ethyl]Amino]-1-Methyl-2-Oxo-Ethyl]-3-(4-Hydroxyphenyl)Propanamide; (2S)-2-Amino-N-[(1R)-2-[[2-[[(2S)-2-Amino-3-(4-Nitrophenyl)-1-Oxopropyl]Amino]-2-Oxoethyl]Amino]-1-Methyl-2-Oxoethyl]-3-(4-Hydroxyphenyl)Propanamide; (2S)-2-Amino-N-[(1R)-2-[[2-[[(2S)-2-Amino-3-(4-Nitrophenyl)Propanoyl]Amino]-2-Keto-Ethyl]Amino]-2-Keto-1-Methyl-Ethyl]-3-(4-Hydroxyphenyl)Propionamide
• Molecular Formula: C₂₃H₂₈N₆O₇
• Molecular Weight: 500.51
• CAS Registry Number: 81733-82-6
• SMILES: [C@H](C(=O)NC(CNC([C@H](NC([C@@H](N)CC1=CC=C(O)C=C1)=O)C)=O)=O)(N)CC2=CC=C(C=C2)[N+](=O)[O-]
• InChI: 1S/C23H28N6O7/c1-13(27-22(33)18(24)11-15-4-8-17(30)9-5-15)21(32)26-12-20(31)28-23(34)19(25)10-14-2-6-16(7-3-14)29(35)36/h2-9,13,18-19,30H,10-12,24-25H2,1H3,(H,26,32)(H,27,33)(H,28,31,34)/t13-,18+,19+/m1/s1
• InChIKey: IYTHSRCUNXRYMB-VMDGZTHMSA-N

Properties

• Density: 1.37g/cm³ (Cal.)
• Boiling point: 897.196°C at 760 mmHg (Cal.)
• Flash point: 496.406°C (Cal.)