4-[(3S)-3-(methylcarbamoyl)-7-(sulfoamino)-3,4-dihydro-1H-isoquinolin-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3S)-3-(methylcarbamoyl)-7-(sulfoamino)-3,4-dihydro-1H-isoquinolin-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3S)-3-(methylcarbamoyl)-7-(sulfoamino)-3,4-dihydro-1H-isoquinolin-2-yl]-4-oxo-butanoic acid CAS Name: 4-[(3S)-3-(methylcarbamoyl)-7-(sulfoamino)-3,4-dihydro-1H-isoquinolin-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[(3S)-3-(methylcarbamoyl)-7-(sulfoamino)-3,4-dihydro-1H-isoquinolin-2-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[(3S)-3-(methylcarbamoyl)-7-(sulfoamino)-3,4-dihydro-1H-isoquinolin-2-yl]butyric acid Formula: C15H19N3O7S MolecularWeight: 385.39226

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC2=C(CN1C(=O)CCC(=O)O)C=C(C=C2)NS(=O)(=O)O

Isomeric SMILES

CNC(=O)[C@@H]1CC2=C(CN1C(=O)CCC(=O)O)C=C(C=C2)NS(=O)(=O)O

InChI

InChI=1S/C15H19N3O7S/c1-16-15(22)12-7-9-2-3-11(17-26(23,24)25)6-10(9)8-18(12)13(19)4-5-14(20)21/h2-3,6,12,17H,4-5,7-8H2,1H3,(H,16,22)(H,20,21)(H,23,24,25)/t12-/m0/s1