2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)-(11-azanylundecanoyl)amino]-3-methyl-butanoic acid

Systemtic Name: 2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)-(11-azanylundecanoyl)amino]-3-methyl-butanoic acid Openeye Name: 2-[(2-amino-4-hydroxy-4-oxo-butanoyl)-(11-aminoundecanoyl)amino]-3-methyl-butanoic acid CAS Name: 2-[(2-amino-4-hydroxy-1,4-dioxobutyl)-(11-amino-1-oxoundecyl)amino]-3-methylbutanoic acid IUPAC Name: 2-[(2-amino-4-hydroxy-4-oxobutanoyl)-(11-aminoundecanoyl)amino]-3-methylbutanoic acid Traditional Name: 2-[(2-amino-4-hydroxy-4-keto-butanoyl)-(11-aminoundecanoyl)amino]-3-methyl-butyric acid Formula: C20H37N3O6 MolecularWeight: 415.52428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N(C(=O)CCCCCCCCCCN)C(=O)C(CC(=O)O)N

Isomeric SMILES

CC(C)C(C(=O)O)N(C(=O)CCCCCCCCCCN)C(=O)C(CC(=O)O)N

InChI

InChI=1S/C20H37N3O6/c1-14(2)18(20(28)29)23(19(27)15(22)13-17(25)26)16(24)11-9-7-5-3-4-6-8-10-12-21/h14-15,18H,3-13,21-22H2,1-2H3,(H,25,26)(H,28,29)