2-[[2-(7-azanylheptanoylamino)-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[2-(7-azanylheptanoylamino)-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-(7-aminoheptanoylamino)-4-hydroxy-4-oxo-butanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[(7-amino-1-oxoheptyl)amino]-4-hydroxy-1,4-dioxobutyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-(7-aminoheptanoylamino)-4-hydroxy-4-oxobutanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-(7-aminoheptanoylamino)-4-hydroxy-4-keto-butanoyl]amino]-3-methyl-butyric acid Formula: C16H29N3O6 MolecularWeight: 359.41796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)CCCCCCN

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)CCCCCCN

InChI

InChI=1S/C16H29N3O6/c1-10(2)14(16(24)25)19-15(23)11(9-13(21)22)18-12(20)7-5-3-4-6-8-17/h10-11,14H,3-9,17H2,1-2H3,(H,18,20)(H,19,23)(H,21,22)(H,24,25)