(2S,3R)-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-Amino-3-Phenyl-Propanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]Hexanoyl]Amino]-3-Hydroxy-Butanoic Acid
[CAS# 91853-94-0]

Identification

• Name: (2S,3R)-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-Amino-3-Phenyl-Propanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]Hexanoyl]Amino]-3-Hydroxy-Butanoic Acid
• Synonyms: (2S,3R)-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-Amino-3-Phenyl-Propanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]Hexanoyl]Amino]-3-Hydroxy-Butanoic Acid; (2S,3R)-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-Amino-1-Oxo-3-Phenylpropyl]Amino]-3-(1H-Indol-3-Yl)-1-Oxopro
• Molecular Formula: C₃₀H₄₀N₆O₆
• Molecular Weight: 580.68
• CAS Registry Number: 91853-94-0
• SMILES: [C@H](C(=O)O)(NC([C@@H](NC([C@@H](NC([C@@H](N)CC1=CC=CC=C1)=O)CC2=C[NH]C3=CC=CC=C23)=O)CCCCN)=O)[C@@H](C)O
• InChI: 1S/C30H40N6O6/c1-18(37)26(30(41)42)36-28(39)24(13-7-8-14-31)34-29(40)25(16-20-17-33-23-12-6-5-11-21(20)23)35-27(38)22(32)15-19-9-3-2-4-10-19/h2-6,9-12,17-18,22,24-26,33,37H,7-8,13-16,31-32H2,1H3,(H,34,40)(H,35,38)(H,36,39)(H,41,42)/t18-,22+,24+,25+,26+/m1
• InChIKey: RCGFMNKLEKXILD-XYCLDAKMSA-N

Properties

• Density: 1.303g/cm³ (Cal.)
• Boiling point: 1010.036°C at 760 mmHg (Cal.)
• Flash point: 564.65°C (Cal.)