3-methyl-2-[[6-methyl-3-oxidanyl-4-[(2-oxidanyl-2-phenyl-ethanoyl)amino]heptanoyl]amino]butanoic acid

Systemtic Name: 3-methyl-2-[[6-methyl-3-oxidanyl-4-[(2-oxidanyl-2-phenyl-ethanoyl)amino]heptanoyl]amino]butanoic acid Openeye Name: 2-[[3-hydroxy-4-[(2-hydroxy-2-phenyl-acetyl)amino]-6-methyl-heptanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[3-hydroxy-4-[(2-hydroxy-1-oxo-2-phenylethyl)amino]-6-methyl-1-oxoheptyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[3-hydroxy-4-[(2-hydroxy-2-phenylacetyl)amino]-6-methylheptanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[3-hydroxy-4-(mandeloylamino)-6-methyl-heptanoyl]amino]-3-methyl-butyric acid Formula: C21H32N2O6 MolecularWeight: 408.48858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC(=O)NC(C(C)C)C(=O)O)O)NC(=O)C(C1=CC=CC=C1)O

Isomeric SMILES

CC(C)CC(C(CC(=O)NC(C(C)C)C(=O)O)O)NC(=O)C(C1=CC=CC=C1)O

InChI

InChI=1S/C21H32N2O6/c1-12(2)10-15(22-20(27)19(26)14-8-6-5-7-9-14)16(24)11-17(25)23-18(13(3)4)21(28)29/h5-9,12-13,15-16,18-19,24,26H,10-11H2,1-4H3,(H,22,27)(H,23,25)(H,28,29)