(3R)-7-(2-azanylethanoylamino)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (3R)-7-(2-azanylethanoylamino)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3R)-7-[(2-aminoacetyl)amino]-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3R)-7-[(2-amino-1-oxoethyl)amino]-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3R)-7-[(2-aminoacetyl)amino]-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3R)-7-(glycylamino)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(CC2C(=O)O)C=CC(=C3)NC(=O)CN

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C[C@@H]2C(=O)O)C=CC(=C3)NC(=O)CN

InChI

InChI=1S/C19H21N3O6S/c1-28-15-4-6-16(7-5-15)29(26,27)22-11-13-8-14(21-18(23)10-20)3-2-12(13)9-17(22)19(24)25/h2-8,17H,9-11,20H2,1H3,(H,21,23)(H,24,25)/t17-/m1/s1