carbamimidoyl 2-[[4-azanyl-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]-methyl-amino]-2,3-dimethyl-3-piperidin-3-yl-butanoate

Systemtic Name: carbamimidoyl 2-[[4-azanyl-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]-methyl-amino]-2,3-dimethyl-3-piperidin-3-yl-butanoate Openeye Name: carbamimidoyl 2-[[4-amino-2-(2-naphthylsulfonylamino)-4-oxo-butanoyl]-methyl-amino]-2,3-dimethyl-3-(3-piperidyl)butanoate CAS Name: 2-[[4-amino-2-(2-naphthalenylsulfonylamino)-1,4-dioxobutyl]-methylamino]-2,3-dimethyl-3-(3-piperidinyl)butanoic acid carbamimidoyl ester IUPAC Name: carbamimidoyl 2-[[4-amino-2-(naphthalen-2-ylsulfonylamino)-4-oxobutanoyl]-methylamino]-2,3-dimethyl-3-piperidin-3-ylbutanoate Traditional Name: 2-[[4-amino-4-keto-2-(2-naphthylsulfonylamino)butanoyl]-methyl-amino]-2,3-dimethyl-3-(3-piperidyl)butyric acid amidino ester Formula: C27H38N6O6S MolecularWeight: 574.69222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1CCCNC1)C(C)(C(=O)OC(=N)N)N(C)C(=O)C(CC(=O)N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)(C1CCCNC1)C(C)(C(=O)OC(=N)N)N(C)C(=O)C(CC(=O)N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C27H38N6O6S/c1-26(2,19-10-7-13-31-16-19)27(3,24(36)39-25(29)30)33(4)23(35)21(15-22(28)34)32-40(37,38)20-12-11-17-8-5-6-9-18(17)14-20/h5-6,8-9,11-12,14,19,21,31-32H,7,10,13,15-16H2,1-4H3,(H2,28,34)(H3,29,30)