(2S,4S)-2-azanyl-5-[(4,5-dimethoxy-2-oxidanyl-phenyl)amino]-4-oxidanyl-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S,4S)-2-azanyl-5-[(4,5-dimethoxy-2-oxidanyl-phenyl)amino]-4-oxidanyl-5-oxidanylidene-pentanoic acid Openeye Name: (2S,4S)-2-amino-4-hydroxy-5-(2-hydroxy-4,5-dimethoxy-anilino)-5-oxo-pentanoic acid CAS Name: (2S,4S)-2-amino-4-hydroxy-5-(2-hydroxy-4,5-dimethoxyanilino)-5-oxopentanoic acid IUPAC Name: (2S,4S)-2-amino-4-hydroxy-5-(2-hydroxy-4,5-dimethoxyanilino)-5-oxopentanoic acid Traditional Name: (2S,4S)-2-amino-4-hydroxy-5-(2-hydroxy-4,5-dimethoxy-anilino)-5-keto-valeric acid Formula: C13H18N2O7 MolecularWeight: 314.29122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)NC(=O)C(CC(C(=O)O)N)O)O)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)NC(=O)[C@H](C[C@@H](C(=O)O)N)O)O)OC

InChI

InChI=1S/C13H18N2O7/c1-21-10-4-7(8(16)5-11(10)22-2)15-12(18)9(17)3-6(14)13(19)20/h4-6,9,16-17H,3,14H2,1-2H3,(H,15,18)(H,19,20)/t6-,9-/m0/s1