3-[[5-[[2-[(2-azanyl-3-cyclohexyl-propanoyl)amino]-4-methyl-pentanoyl]amino]-2,3,4,6-tetrakis(oxidanyl)hexanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 3-[[5-[[2-[(2-azanyl-3-cyclohexyl-propanoyl)amino]-4-methyl-pentanoyl]amino]-2,3,4,6-tetrakis(oxidanyl)hexanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 3-[[5-[[2-[(2-amino-3-cyclohexyl-propanoyl)amino]-4-methyl-pentanoyl]amino]-2,3,4,6-tetrahydroxy-hexanoyl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[5-[[2-[(2-amino-3-cyclohexyl-1-oxopropyl)amino]-4-methyl-1-oxopentyl]amino]-2,3,4,6-tetrahydroxy-1-oxohexyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[5-[[2-[(2-amino-3-cyclohexylpropanoyl)amino]-4-methylpentanoyl]amino]-2,3,4,6-tetrahydroxyhexanoyl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[5-[[2-[(2-amino-3-cyclohexyl-propanoyl)amino]-4-methyl-pentanoyl]amino]-2,3,4,6-tetrahydroxy-hexanoyl]amino]-3-phenyl-propionic acid Formula: C30H48N4O9 MolecularWeight: 608.72352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CO)C(C(C(C(=O)NC(CC(=O)O)C1=CC=CC=C1)O)O)O)NC(=O)C(CC2CCCCC2)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CO)C(C(C(C(=O)NC(CC(=O)O)C1=CC=CC=C1)O)O)O)NC(=O)C(CC2CCCCC2)N

InChI

InChI=1S/C30H48N4O9/c1-17(2)13-22(33-28(41)20(31)14-18-9-5-3-6-10-18)29(42)34-23(16-35)25(38)26(39)27(40)30(43)32-21(15-24(36)37)19-11-7-4-8-12-19/h4,7-8,11-12,17-18,20-23,25-27,35,38-40H,3,5-6,9-10,13-16,31H2,1-2H3,(H,32,43)(H,33,41)(H,34,42)(H,36,37)