L-Tyrosyl-D-Alanyl-L-(4-Fluoro)Phenylalanyl-L-Phenylalanylamide
[CAS# 188196-22-7]

Identification

• Name: L-Tyrosyl-D-Alanyl-L-(4-Fluoro)Phenylalanyl-L-Phenylalanylamide
• Synonyms: (2S)-2-[[(2S)-2-Amino-3-(4-Fluorophenyl)Propanoyl]Amino]-N-[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]-3-Phenyl-Propanamide; (2S)-2-[[(2S)-2-Amino-3-(4-Fluorophenyl)-1-Oxopropyl]Amino]-N-[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-1-Oxopropyl]-3-Phenylpropanamide; (2S)-2-[[(2S)-2-Amino-3-(4-Fluorophenyl)Propanoyl]Amino]-N-[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]-3-Phenyl-Propionamide
• Molecular Formula: C₃₀H₃₄FN₅O₅
• Molecular Weight: 563.63
• CAS Registry Number: 188196-22-7
• SMILES: [C@@H](NC(=O)[C@@H](N)CC1=CC=C(F)C=C1)(C(=O)NC(=O)[C@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)C)CC3=CC=CC=C3
• InChI: 1S/C30H34FN5O5/c1-18(34-28(39)24(32)16-21-9-13-23(37)14-10-21)27(38)36-30(41)26(17-19-5-3-2-4-6-19)35-29(40)25(33)15-20-7-11-22(31)12-8-20/h2-14,18,24-26,37H,15-17,32-33H2,1H3,(H,34,39)(H,35,40)(H,36,38,41)/t18-,24+,25+,26+/m1/s1
• InChIKey: HESSKXOHGGYIFY-JTQLPTLWSA-N

Properties

• Density: 1.295g/cm³ (Cal.)
• Boiling point: 897.878°C at 760 mmHg (Cal.)
• Flash point: 496.819°C (Cal.)