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

Systemtic Name: (3S)-2-[2-carboxyethyl(prop-2-ynyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-2-[2-carboxyethyl(prop-2-ynyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-2-[[2-carboxyethyl(prop-2-ynyl)amino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-2-[2-carboxyethyl(prop-2-ynyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-2-[2-carboxyethyl(propargyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C17H18N2O5 MolecularWeight: 330.33522

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN(CCC(=O)O)C(=O)N1CC2=CC=CC=C2CC1C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O5/c1-2-8-18(9-7-15(20)21)17(24)19-11-13-6-4-3-5-12(13)10-14(19)16(22)23/h1,3-6,14H,7-11H2,(H,20,21)(H,22,23)/t14-/m0/s1