[(3S)-2-phenylmethoxycarbonyl-3-[(phenylmethyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid

Systemtic Name: [(3S)-2-phenylmethoxycarbonyl-3-[(phenylmethyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid Openeye Name: [(3S)-3-(benzylcarbamoyl)-2-benzyloxycarbonyl-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid CAS Name: [(3S)-3-[oxo-[(phenylmethyl)amino]methyl]-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid IUPAC Name: [(3S)-3-(benzylcarbamoyl)-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid Traditional Name: [(3S)-3-(benzylcarbamoyl)-2-carbobenzoxy-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid Formula: C25H25N3O6S MolecularWeight: 495.5475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C1C=CC(=C2)NS(=O)(=O)O)C(=O)OCC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1[C@H](N(CC2=C1C=CC(=C2)NS(=O)(=O)O)C(=O)OCC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O6S/c29-24(26-15-18-7-3-1-4-8-18)23-14-20-11-12-22(27-35(31,32)33)13-21(20)16-28(23)25(30)34-17-19-9-5-2-6-10-19/h1-13,23,27H,14-17H2,(H,26,29)(H,31,32,33)/t23-/m0/s1