2-[9-azanylnonanoyl-(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-3-methyl-butanoic acid

Systemtic Name: 2-[9-azanylnonanoyl-(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-3-methyl-butanoic acid Openeye Name: 2-[(2-amino-4-hydroxy-4-oxo-butanoyl)-(9-aminononanoyl)amino]-3-methyl-butanoic acid CAS Name: 2-[(2-amino-4-hydroxy-1,4-dioxobutyl)-(9-amino-1-oxononyl)amino]-3-methylbutanoic acid IUPAC Name: 2-[(2-amino-4-hydroxy-4-oxobutanoyl)-(9-aminononanoyl)amino]-3-methylbutanoic acid Traditional Name: 2-[(2-amino-4-hydroxy-4-keto-butanoyl)-(9-aminononanoyl)amino]-3-methyl-butyric acid Formula: C18H33N3O6 MolecularWeight: 387.47112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N(C(=O)CCCCCCCCN)C(=O)C(CC(=O)O)N

Isomeric SMILES

CC(C)C(C(=O)O)N(C(=O)CCCCCCCCN)C(=O)C(CC(=O)O)N

InChI

InChI=1S/C18H33N3O6/c1-12(2)16(18(26)27)21(17(25)13(20)11-15(23)24)14(22)9-7-5-3-4-6-8-10-19/h12-13,16H,3-11,19-20H2,1-2H3,(H,23,24)(H,26,27)