6-azanyl-2-[[2-[[2-[[2-[[2-(2-azanylpropanoylamino)-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[2-[[2-[[2-[[2-(2-azanylpropanoylamino)-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[2-[[2-[[2-[[2-(2-aminopropanoylamino)-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[2-[[2-[[2-[[2-[(2-amino-1-oxopropyl)amino]-1-oxo-3-phenylpropyl]amino]-1-oxo-3-phenylpropyl]amino]-3-methyl-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[2-[[2-[[2-[[2-(2-aminopropanoylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]hexanoic acid Traditional Name: 2-[[2-[[2-[[2-[[2-(alanylamino)-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-6-amino-hexanoic acid Formula: C38H57N7O7 MolecularWeight: 723.90188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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