(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-3-Hydroxybutanoic Acid
[CAS# 103930-64-9]

Identification

• Name: (2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-3-Hydroxybutanoic Acid
• Synonyms: (2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-3-Hydroxy-Butanoic Acid; (2S,3R)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-3-(1H-Indol-3-Yl)-1-Oxopropyl]Amino]-3-Hydroxybutanoic Acid; (2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-3-Hydroxy-Butyric Acid
• Molecular Formula: C₂₉H₃₅N₅O₇
• Molecular Weight: 565.62
• CAS Registry Number: 103930-64-9
• SMILES: [C@@H](N)(C(=O)N3[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)CC1=C[NH]C2=C1C=CC=C2)CCC3)CC4=CC=C(C=C4)O
• InChI: 1S/C29H35N5O7/c1-16(35)25(29(40)41)33-26(37)23(14-18-15-31-22-6-3-2-5-20(18)22)32-27(38)24-7-4-12-34(24)28(39)21(30)13-17-8-10-19(36)11-9-17/h2-3,5-6,8-11,15-16,21,23-25,31,35-36H,4,7,12-14,30H2,1H3,(H,32,38)(H,33,37)(H,40,41)/t16-,21+,23+,24+,25+/m1/s1
• InChIKey: WEGGKZQIJMQCGR-RECQUVTISA-N

Properties

• Density: 1.406g/cm³ (Cal.)
• Boiling point: 1021.576°C at 760 mmHg (Cal.)
• Flash point: 571.629°C (Cal.)