[R-(R*,S*)]-L-Tyrosyl-D-methionyl-N-[2-[4-(aminocarbonyl)-3-thiazolidinyl]-2-oxo-1-(phenylmethyl)ethyl]-Glycinamide
[CAS# 64889-79-8]

Identification

• Name: [R-(R*,S*)]-L-Tyrosyl-D-methionyl-N-[2-[4-(aminocarbonyl)-3-thiazolidinyl]-2-oxo-1-(phenylmethyl)ethyl]-Glycinamide
• Synonyms: (4R)-3-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-4-Methylsulfanyl-Butanoyl]Amino]-2-Oxo-Ethyl]Amino]-3-Phenyl-Propanoyl]Thiazolidine-4-Carboxamide; (4R)-3-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-4-(Methylthio)-1-Oxobutyl]Amino]-2-Oxoethyl]Amino]-1-Oxo-3-Phenylpropyl]-4-Thiazolidinecarboxamide; (4R)-3-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-4-(Methylthio)Butanoyl]Amino]-2-Keto-Ethyl]Amino]-3-Phenyl-Propanoyl]Thiazolidine-4-Carboxamide
• Molecular Formula: C₂₉H₃₈N₆O₆S₂
• Molecular Weight: 630.78
• CAS Registry Number: 64889-79-8
• SMILES: [C@@H](NCC(=O)NC([C@H](NC([C@@H](N)CC1=CC=C(O)C=C1)=O)CCSC)=O)(C(=O)N2CSC[C@H]2C(=O)N)CC3=CC=CC=C3
• InChI: 1S/C29H38N6O6S2/c1-42-12-11-22(33-27(39)21(30)13-19-7-9-20(36)10-8-19)28(40)34-25(37)15-32-23(14-18-5-3-2-4-6-18)29(41)35-17-43-16-24(35)26(31)38/h2-10,21-24,32,36H,11-17,30H2,1H3,(H2,31,38)(H,33,39)(H,34,37,40)/t21-,22+,23-,24-/m0/s1
• InChIKey: IGQZIZBAABAEEU-KIHHCIJBSA-N

Properties

• Density: 1.351g/cm³ (Cal.)
• Boiling point: 1007.676°C at 760 mmHg (Cal.)
• Flash point: 563.222°C (Cal.)