4-[[(2S,3S)-1-[[(2S,3S)-1-[[(2S)-3-(1H-Indol-3-Yl)-2-[(4-Methyl-2-Oxochromen-7-Yl)Amino]Propanoyl]Amino]-3-Methyl-1-Oxopentan-2-Yl]Amino]-3-Methyl-1-Oxopentan-2-Yl]Amino]-4-Oxobutanoic Acid
[CAS# 133525-12-9]

Identification

• Name: 4-[[(2S,3S)-1-[[(2S,3S)-1-[[(2S)-3-(1H-Indol-3-Yl)-2-[(4-Methyl-2-Oxochromen-7-Yl)Amino]Propanoyl]Amino]-3-Methyl-1-Oxopentan-2-Yl]Amino]-3-Methyl-1-Oxopentan-2-Yl]Amino]-4-Oxobutanoic Acid
• Synonyms: 4-[[(1S,2S)-1-[[(1S,2S)-1-[[(2S)-3-(1H-Indol-3-Yl)-2-[(4-Methyl-2-Oxo-Chromen-7-Yl)Amino]Propanoyl]Carbamoyl]-2-Methyl-Butyl]Carbamoyl]-2-Methyl-Butyl]Amino]-4-Oxo-Butanoic Acid; 4-[[(1S,2S)-1-[[[(1S,2S)-1-[[[(2S)-3-(1H-Indol-3-Yl)-2-[(4-Methyl-2-Oxo-7-Chromenyl)Amino]-1-Oxopropyl]Amino]-Oxomethyl]-2-Methylbutyl]Amino]-Oxomethyl]-2-Methylbutyl]Amino]-4-Oxobutanoic Acid; 4-[[(1S,2S)-1-[[(1S,2S)-1-[[(2S)-3-(1H-Indol-3-Yl)-2-[(2-Keto-4-Methyl-Chromen-7-Yl)Amino]Propanoyl]Carbamoyl]-2-Methyl-Butyl]Carbamoyl]-2-Methyl-Butyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₃₇H₄₅N₅O₈
• Molecular Weight: 687.79
• CAS Registry Number: 133525-12-9
• SMILES: [C@H](C(=O)NC([C@@H](NC([C@@H](NC(CCC(=O)O)=O)[C@H](CC)C)=O)[C@H](CC)C)=O)(NC2=CC=C1C(=CC(OC1=C2)=O)C)CC3=C[NH]C4=CC=CC=C34
• InChI: 1S/C37H45N5O8/c1-6-20(3)33(40-30(43)14-15-31(44)45)36(48)41-34(21(4)7-2)37(49)42-35(47)28(17-23-19-38-27-11-9-8-10-26(23)27)39-24-12-13-25-22(5)16-32(46)50-29(25)18-24/h8-13,16,18-21,28,33-34,38-39H,6-7,14-15,17H2,1-5H3,(H,40,43)(H,41,48)(H,44,45)(H,42,47,49)/t20-,21-,28-,33-,34-/m0/s1
• InChIKey: IHOJNXHPVYGHSL-DFXXCKAUSA-N

Properties

• Density: 1.283g/cm³ (Cal.)
• Boiling point: 1033.081°C at 760 mmHg (Cal.)
• Flash point: 578.587°C (Cal.)