2-[[2-[[2-[[2-[[2-[2,6-bis(azanyl)hexanoylamino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]propanoic acid

Systemtic Name: 2-[[2-[[2-[[2-[[2-[2,6-bis(azanyl)hexanoylamino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]propanoic acid Openeye Name: 2-[[2-[[2-[[2-[[2-(2,6-diaminohexanoylamino)-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]propanoic acid CAS Name: 2-[[2-[[2-[[2-[[2-[(2,6-diamino-1-oxohexyl)amino]-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxo-3-phenylpropyl]amino]propanoic acid IUPAC Name: 2-[[2-[[2-[[2-[[2-(2,6-diaminohexanoylamino)-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]propanoic acid Traditional Name: 2-[[2-[[2-[[2-[[2-(2,6-diaminohexanoylamino)-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]propionic acid Formula: C38H57N7O7 MolecularWeight: 723.90188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C)C(=O)O)NC(=O)C(CCCCN)N

Isomeric SMILES

CC(C)CC(C(=O)NC(C(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C)C(=O)O)NC(=O)C(CCCCN)N

InChI

InChI=1S/C38H57N7O7/c1-23(2)20-29(42-33(46)28(40)18-12-13-19-39)36(49)45-32(24(3)4)37(50)44-31(22-27-16-10-7-11-17-27)35(48)43-30(21-26-14-8-6-9-15-26)34(47)41-25(5)38(51)52/h6-11,14-17,23-25,28-32H,12-13,18-22,39-40H2,1-5H3,(H,41,47)(H,42,46)(H,43,48)(H,44,50)(H,45,49)(H,51,52)