N-tert-butyl-4-isoquinolin-8-ylsulfonyl-1-[2-oxidanyl-5-[(2-oxidanyl-2,3-dihydro-1H-inden-1-yl)amino]-5-oxidanylidene-4-(pyridin-4-ylmethyl)pentyl]piperazine-2-carboxamide

Systemtic Name: N-tert-butyl-4-isoquinolin-8-ylsulfonyl-1-[2-oxidanyl-5-[(2-oxidanyl-2,3-dihydro-1H-inden-1-yl)amino]-5-oxidanylidene-4-(pyridin-4-ylmethyl)pentyl]piperazine-2-carboxamide Openeye Name: N-tert-butyl-1-[2-hydroxy-5-[(2-hydroxyindan-1-yl)amino]-5-oxo-4-(4-pyridylmethyl)pentyl]-4-(8-isoquinolylsulfonyl)piperazine-2-carboxamide CAS Name: N-tert-butyl-1-[2-hydroxy-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-5-oxo-4-(pyridin-4-ylmethyl)pentyl]-4-(8-isoquinolinylsulfonyl)-2-piperazinecarboxamide IUPAC Name: N-tert-butyl-1-[2-hydroxy-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-5-oxo-4-(pyridin-4-ylmethyl)pentyl]-4-isoquinolin-8-ylsulfonylpiperazine-2-carboxamide Traditional Name: N-tert-butyl-1-[2-hydroxy-5-[(2-hydroxyindan-1-yl)amino]-5-keto-4-(4-pyridylmethyl)pentyl]-4-(8-isoquinolylsulfonyl)piperazine-2-carboxamide Formula: C38H46N6O6S MolecularWeight: 714.87344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CN(CCN1CC(CC(CC2=CC=NC=C2)C(=O)NC3C(CC4=CC=CC=C34)O)O)S(=O)(=O)C5=CC=CC6=C5C=NC=C6

Isomeric SMILES

CC(C)(C)NC(=O)C1CN(CCN1CC(CC(CC2=CC=NC=C2)C(=O)NC3C(CC4=CC=CC=C34)O)O)S(=O)(=O)C5=CC=CC6=C5C=NC=C6

InChI

InChI=1S/C38H46N6O6S/c1-38(2,3)42-37(48)32-24-44(51(49,50)34-10-6-8-26-13-16-40-22-31(26)34)18-17-43(32)23-29(45)20-28(19-25-11-14-39-15-12-25)36(47)41-35-30-9-5-4-7-27(30)21-33(35)46/h4-16,22,28-29,32-33,35,45-46H,17-21,23-24H2,1-3H3,(H,41,47)(H,42,48)