(4R)-4-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-Aminopropanoyl]Amino]-3-Methylbutanoyl]Amino]-4-Methylpent-4-Enoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-5-Oxopentanoic Acid
[CAS# 136553-73-6]

Identification

• Name: (4R)-4-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-Aminopropanoyl]Amino]-3-Methylbutanoyl]Amino]-4-Methylpent-4-Enoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-5-Oxopentanoic Acid
• Synonyms: (4R)-4-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-Aminopropanoyl]Amino]-3-Methyl-Butanoyl]Amino]-4-Methyl-Pent-4-Enoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-5-Oxo-Pentanoic Acid; (4R)-4-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-Amino-1-Oxopropyl]Amino]-3-Methyl-1-Oxobutyl]Amino]-4-Methyl-1-Oxopent-4-Enyl]Amino]-3-(1H-Indol-3-Yl)-1-Oxopropyl]Amino]-5-Oxopentanoic Acid; (4R)-4-[[(2R)-2-[[(2S)-2-[[(2R)-2-(Alanylamino)-3-Methyl-Butanoyl]Amino]-4-Methyl-Pent-4-Enoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₃₀H₄₂N₆O₇
• Molecular Weight: 598.70
• CAS Registry Number: 136553-73-6
• SMILES: [C@@H](C=O)(NC([C@H](NC([C@@H](NC([C@H](NC([C@@H](N)C)=O)C(C)C)=O)CC(C)=C)=O)CC1=C[NH]C2=CC=CC=C12)=O)CCC(=O)O
• InChI: 1S/C30H42N6O7/c1-16(2)12-23(35-30(43)26(17(3)4)36-27(40)18(5)31)29(42)34-24(28(41)33-20(15-37)10-11-25(38)39)13-19-14-32-22-9-7-6-8-21(19)22/h6-9,14-15,17-18,20,23-24,26,32H,1,10-13,31H2,2-5H3,(H,33,41)(H,34,42)(H,35,43)(H,36,40)(H,38,39)/t18-,20+,23-,24+,26+/m0/s1
• InChIKey: DHIQQDQGWWOERP-SEHYTIIPSA-N

Properties

• Density: 1.244g/cm³ (Cal.)
• Boiling point: 1012.12°C at 760 mmHg (Cal.)
• Flash point: 565.91°C (Cal.)