(3S)-2-[2-carboxyethyl(methyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (3S)-2-[2-carboxyethyl(methyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-2-[2-carboxyethyl(methyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-2-[[2-carboxyethyl(methyl)amino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-2-[2-carboxyethyl(methyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-2-[2-carboxyethyl(methyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C15H18N2O5 MolecularWeight: 306.31382

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=O)O)C(=O)N1CC2=CC=CC=C2CC1C(=O)O

Isomeric SMILES

CN(CCC(=O)O)C(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)O

InChI

InChI=1S/C15H18N2O5/c1-16(7-6-13(18)19)15(22)17-9-11-5-3-2-4-10(11)8-12(17)14(20)21/h2-5,12H,6-9H2,1H3,(H,18,19)(H,20,21)/t12-/m0/s1