2-[[2-[2-(2-azanylpropanoylamino)propanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]butanedioic acid

Systemtic Name: 2-[[2-[2-(2-azanylpropanoylamino)propanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]butanedioic acid Openeye Name: 2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-4-hydroxy-4-oxo-butanoyl]amino]butanedioic acid CAS Name: 2-[[2-[[2-[(2-amino-1-oxopropyl)amino]-1-oxopropyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]butanedioic acid IUPAC Name: 2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-4-hydroxy-4-oxobutanoyl]amino]butanedioic acid Traditional Name: 2-[[2-[2-(alanylamino)propanoylamino]-4-hydroxy-4-keto-butanoyl]amino]succinic acid Formula: C14H22N4O9 MolecularWeight: 390.34588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)O)N

Isomeric SMILES

CC(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)O)N

InChI

InChI=1S/C14H22N4O9/c1-5(15)11(23)16-6(2)12(24)17-7(3-9(19)20)13(25)18-8(14(26)27)4-10(21)22/h5-8H,3-4,15H2,1-2H3,(H,16,23)(H,17,24)(H,18,25)(H,19,20)(H,21,22)(H,26,27)