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

Systemtic Name: (1S)-2-[(2R)-2-azanyl-4-(1-methylindol-3-yl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]cyclopropane-1-carboxylic acid Openeye Name: (1S)-2-[(1R)-1-amino-1-carboxy-3-(1-methylindol-3-yl)propyl]cyclopropanecarboxylic acid CAS Name: (1S)-2-[(2R)-2-amino-1-hydroxy-4-(1-methyl-3-indolyl)-1-oxobutan-2-yl]-1-cyclopropanecarboxylic acid IUPAC Name: (1S)-2-[(2R)-2-amino-1-hydroxy-4-(1-methylindol-3-yl)-1-oxobutan-2-yl]cyclopropane-1-carboxylic acid Traditional Name: (1S)-2-[(1R)-1-amino-1-carboxy-3-(1-methylindol-3-yl)propyl]cyclopropanecarboxylic acid Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)CCC(C3CC3C(=O)O)(C(=O)O)N

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)CC[C@@](C3C[C@@H]3C(=O)O)(C(=O)O)N

InChI

InChI=1S/C17H20N2O4/c1-19-9-10(11-4-2-3-5-14(11)19)6-7-17(18,16(22)23)13-8-12(13)15(20)21/h2-5,9,12-13H,6-8,18H2,1H3,(H,20,21)(H,22,23)/t12-,13?,17+/m0/s1