(3R)-7-[[(2R)-2-azanyl-3-phenyl-propanoyl]amino]-2-(4-methoxyphenyl)sulfonyl-N-oxidanyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-7-[[(2R)-2-azanyl-3-phenyl-propanoyl]amino]-2-(4-methoxyphenyl)sulfonyl-N-oxidanyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (2R)-2-amino-N-[(3R)-3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-phenyl-propanamide CAS Name: (3R)-7-[[(2R)-2-amino-1-oxo-3-phenylpropyl]amino]-N-hydroxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-7-[[(2R)-2-amino-3-phenylpropanoyl]amino]-N-hydroxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (2R)-2-amino-N-[(3R)-3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-phenyl-propionamide Formula: C26H28N4O6S MolecularWeight: 524.58872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(CC2C(=O)NO)C=CC(=C3)NC(=O)C(CC4=CC=CC=C4)N

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C[C@@H]2C(=O)NO)C=CC(=C3)NC(=O)[C@@H](CC4=CC=CC=C4)N

InChI

InChI=1S/C26H28N4O6S/c1-36-21-9-11-22(12-10-21)37(34,35)30-16-19-14-20(8-7-18(19)15-24(30)26(32)29-33)28-25(31)23(27)13-17-5-3-2-4-6-17/h2-12,14,23-24,33H,13,15-16,27H2,1H3,(H,28,31)(H,29,32)/t23-,24-/m1/s1