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

Systemtic Name: carbamimidoyl 2-[[4-azanyl-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]-methyl-amino]-2,3-dimethyl-3-piperidin-3-yl-pentanoate Openeye Name: carbamimidoyl 2-[[4-amino-2-(2-naphthylsulfonylamino)-4-oxo-butanoyl]-methyl-amino]-2,3-dimethyl-3-(3-piperidyl)pentanoate CAS Name: 2-[[4-amino-2-(2-naphthalenylsulfonylamino)-1,4-dioxobutyl]-methylamino]-2,3-dimethyl-3-(3-piperidinyl)pentanoic acid carbamimidoyl ester IUPAC Name: carbamimidoyl 2-[[4-amino-2-(naphthalen-2-ylsulfonylamino)-4-oxobutanoyl]-methylamino]-2,3-dimethyl-3-piperidin-3-ylpentanoate Traditional Name: 2-[[4-amino-4-keto-2-(2-naphthylsulfonylamino)butanoyl]-methyl-amino]-2,3-dimethyl-3-(3-piperidyl)valeric acid amidino ester Formula: C28H40N6O6S MolecularWeight: 588.7188

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Descriptors Computed from Structure

Canonical SMILES:

CCC(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

CCC(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/C28H40N6O6S/c1-5-27(2,20-11-8-14-32-17-20)28(3,25(37)40-26(30)31)34(4)24(36)22(16-23(29)35)33-41(38,39)21-13-12-18-9-6-7-10-19(18)15-21/h6-7,9-10,12-13,15,20,22,32-33H,5,8,11,14,16-17H2,1-4H3,(H2,29,35)(H3,30,31)