(4S)-5-[[(2S,3S)-1-Amino-3-Methyl-1-Oxopentan-2-Yl]Amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-Phenylpropanoyl]Amino]-3-Methylbutanoyl]Amino]-3-Phenylpropanoyl]Amino]-4-Methylpentanoyl]Amino]Pentanoic Acid
[CAS# 152017-02-2]

Identification

• Name: (4S)-5-[[(2S,3S)-1-Amino-3-Methyl-1-Oxopentan-2-Yl]Amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-Phenylpropanoyl]Amino]-3-Methylbutanoyl]Amino]-3-Phenylpropanoyl]Amino]-4-Methylpentanoyl]Amino]Pentanoic Acid
• Synonyms: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-Phenyl-Propanoyl]Amino]-3-Methyl-Butanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-5-[[(1S,2S)-1-Carbamoyl-2-Methyl-Butyl]Amino]Valeric Acid; (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-Phenyl-Propanoyl]Amino]-3-Methyl-Butanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-5-[[(1S,2S)-1-Carbamoyl-2-Methyl-Butyl]Amino]Pentanoic Acid; (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-1-Oxo-3-Phenylpropyl]Amino]-3-Methyl-1-Oxobutyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-5-[[(1S,2S)-1-Carbamoyl-2-Methylbutyl]Amino]Pentanoic Acid
• Molecular Formula: C₄₀H₆₁N₇O₇
• Molecular Weight: 751.96
• CAS Registry Number: 152017-02-2
• SMILES: [C@H](C(=O)N)(NC[C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)CC1=CC=CC=C1)=O)C(C)C)=O)CC2=CC=CC=C2)=O)CC(C)C)=O)CCC(=O)O)[C@H](CC)C
• InChI: 1S/C40H61N7O7/c1-7-26(6)35(36(42)50)43-23-29(18-19-33(48)49)44-38(52)31(20-24(2)3)45-39(53)32(22-28-16-12-9-13-17-28)46-40(54)34(25(4)5)47-37(51)30(41)21-27-14-10-8-11-15-27/h8-17,24-26,29-32,34-35,43H,7,18-23,41H2,1-6H3,(H2,42,50)(H,44,52)(H,45,53)(H,46,54)(H,47,51)(H,48,49)/t26-,29-,30-,31-,32-,34-,35-/m0/s1
• InChIKey: HOWQLLQUJPNZDI-LWVFPSBSSA-N