(1S)-2-[(2R)-2-azanyl-4-(2,3-dimethoxyphenyl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]cyclopropane-1-carboxylic acid

Systemtic Name: (1S)-2-[(2R)-2-azanyl-4-(2,3-dimethoxyphenyl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]cyclopropane-1-carboxylic acid Openeye Name: (1S)-2-[(1R)-1-amino-1-carboxy-3-(2,3-dimethoxyphenyl)propyl]cyclopropanecarboxylic acid CAS Name: (1S)-2-[(2R)-2-amino-4-(2,3-dimethoxyphenyl)-1-hydroxy-1-oxobutan-2-yl]-1-cyclopropanecarboxylic acid IUPAC Name: (1S)-2-[(2R)-2-amino-4-(2,3-dimethoxyphenyl)-1-hydroxy-1-oxobutan-2-yl]cyclopropane-1-carboxylic acid Traditional Name: (1S)-2-[(1R)-1-amino-1-carboxy-3-(2,3-dimethoxyphenyl)propyl]cyclopropanecarboxylic acid Formula: C16H21NO6 MolecularWeight: 323.34104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CCC(C2CC2C(=O)O)(C(=O)O)N

Isomeric SMILES

COC1=CC=CC(=C1OC)CC[C@@](C2C[C@@H]2C(=O)O)(C(=O)O)N

InChI

InChI=1S/C16H21NO6/c1-22-12-5-3-4-9(13(12)23-2)6-7-16(17,15(20)21)11-8-10(11)14(18)19/h3-5,10-11H,6-8,17H2,1-2H3,(H,18,19)(H,20,21)/t10-,11?,16+/m0/s1