[R-(R*,S*)]-L-Tyrosyl-D-threonyl-N-[2-[4-(aminocarbonyl)-3-thiazolidinyl]-2-oxo-1-(phenylmethyl)ethyl]-Glycinamide
[CAS# 64889-80-1]

Identification

• Name: [R-(R*,S*)]-L-Tyrosyl-D-threonyl-N-[2-[4-(aminocarbonyl)-3-thiazolidinyl]-2-oxo-1-(phenylmethyl)ethyl]-Glycinamide
• Synonyms: (4R)-3-[(2S)-2-[[2-[[(2R,3S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-2-Oxo-Ethyl]Amino]-3-Phenyl-Propanoyl]Thiazolidine-4-Carboxamide; (4R)-3-[(2S)-2-[[2-[[(2R,3S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-3-Hydroxy-1-Oxobutyl]Amino]-2-Oxoethyl]Amino]-1-Oxo-3-Phenylpropyl]-4-Thiazolidinecarboxamide; (4R)-3-[(2S)-2-[[2-[[(2R,3S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-2-Keto-Ethyl]Amino]-3-Phenyl-Propanoyl]Thiazolidine-4-Carboxamide
• Molecular Formula: C₂₈H₃₆N₆O₇S
• Molecular Weight: 600.69
• CAS Registry Number: 64889-80-1
• SMILES: [C@@H](NCC(=O)NC([C@H](NC([C@@H](N)CC1=CC=C(O)C=C1)=O)[C@H](C)O)=O)(C(=O)N2CSC[C@H]2C(=O)N)CC3=CC=CC=C3
• InChI: 1S/C28H36N6O7S/c1-16(35)24(33-26(39)20(29)11-18-7-9-19(36)10-8-18)27(40)32-23(37)13-31-21(12-17-5-3-2-4-6-17)28(41)34-15-42-14-22(34)25(30)38/h2-10,16,20-22,24,31,35-36H,11-15,29H2,1H3,(H2,30,38)(H,33,39)(H,32,37,40)/t16-,20-,21-,22-,24+/m0/s1
• InChIKey: XWEXYQXVJBTXIE-GURFEQJZSA-N

Properties

• Density: 1.383g/cm³ (Cal.)
• Boiling point: 1005.416°C at 760 mmHg (Cal.)
• Flash point: 561.855°C (Cal.)