(3R)-N-[(1-carbamimidoylpiperidin-3-yl)methyl]-4-(4-methylpiperidin-1-yl)-3-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanamide

Systemtic Name: (3R)-N-[(1-carbamimidoylpiperidin-3-yl)methyl]-4-(4-methylpiperidin-1-yl)-3-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanamide Openeye Name: (3R)-N-[(1-carbamimidoyl-3-piperidyl)methyl]-4-(4-methyl-1-piperidyl)-3-(2-naphthylsulfonylamino)-4-oxo-butanamide CAS Name: (3R)-N-[(1-carbamimidoyl-3-piperidinyl)methyl]-4-(4-methyl-1-piperidinyl)-3-(2-naphthalenylsulfonylamino)-4-oxobutanamide IUPAC Name: (3R)-N-[(1-carbamimidoylpiperidin-3-yl)methyl]-4-(4-methylpiperidin-1-yl)-3-(naphthalen-2-ylsulfonylamino)-4-oxobutanamide Traditional Name: (3R)-N-[(1-amidino-3-piperidyl)methyl]-4-keto-4-(4-methylpiperidino)-3-(2-naphthylsulfonylamino)butyramide Formula: C27H38N6O4S MolecularWeight: 542.69342

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(CC(=O)NCC2CCCN(C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1CCN(CC1)C(=O)[C@@H](CC(=O)NCC2CCCN(C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H38N6O4S/c1-19-10-13-32(14-11-19)26(35)24(16-25(34)30-17-20-5-4-12-33(18-20)27(28)29)31-38(36,37)23-9-8-21-6-2-3-7-22(21)15-23/h2-3,6-9,15,19-20,24,31H,4-5,10-14,16-18H2,1H3,(H3,28,29)(H,30,34)/t20?,24-/m1/s1