L-Tyrosyl-D-Alanyl-L-Phenylalanyl-D-Alanyl-L-Tyrosinamide
[CAS# 98815-38-4]

Identification

• Name: L-Tyrosyl-D-Alanyl-L-Phenylalanyl-D-Alanyl-L-Tyrosinamide
• Synonyms: (2S)-N-[(1R)-2-[[(1S)-2-Amino-1-[(4-Hydroxyphenyl)Methyl]-2-Oxo-Ethyl]Amino]-1-Methyl-2-Oxo-Ethyl]-2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]-3-Phenyl-Propanamide; (2S)-N-[(1R)-2-[[(1S)-2-Amino-1-[(4-Hydroxyphenyl)Methyl]-2-Oxoethyl]Amino]-1-Methyl-2-Oxoethyl]-2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-3-Phenylpropanamide; (2S)-N-[(1R)-2-[[(1S)-2-Amino-1-(4-Hydroxybenzyl)-2-Keto-Ethyl]Amino]-2-Keto-1-Methyl-Ethyl]-2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]-3-Phenyl-Propionamide
• Molecular Formula: C₃₃H₄₀N₆O₇
• Molecular Weight: 632.72
• CAS Registry Number: 98815-38-4
• SMILES: [C@H](CC1=CC=CC=C1)(C(N[C@@H](C(N[C@@H](CC2=CC=C(C=C2)O)C(N)=O)=O)C)=O)NC([C@H](NC([C@H](CC3=CC=C(C=C3)O)N)=O)C)=O
• InChI: 1S/C33H40N6O7/c1-19(36-32(45)26(34)16-22-8-12-24(40)13-9-22)31(44)39-28(18-21-6-4-3-5-7-21)33(46)37-20(2)30(43)38-27(29(35)42)17-23-10-14-25(41)15-11-23/h3-15,19-20,26-28,40-41H,16-18,34H2,1-2H3,(H2,35,42)(H,36,45)(H,37,46)(H,38,43)(H,39,44)/t19-,20-,26+,27+,28+/m1/s1
• InChIKey: XDRHVZLDLNGKLM-FLVVDCEDSA-N

Properties

• Density: 1.304g/cm³ (Cal.)
• Boiling point: 1108.87°C at 760 mmHg (Cal.)
• Flash point: 624.422°C (Cal.)