methyl 2-[[4-[(1-carbamimidoylpiperidin-3-yl)methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]-methyl-amino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[[4-[(1-carbamimidoylpiperidin-3-yl)methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]-methyl-amino]-3-methyl-pentanoate Openeye Name: methyl 2-[[4-[(1-carbamimidoyl-3-piperidyl)methylamino]-2-(2-naphthylsulfonylamino)-4-oxo-butanoyl]-methyl-amino]-3-methyl-pentanoate CAS Name: 2-[[4-[(1-carbamimidoyl-3-piperidinyl)methylamino]-2-(2-naphthalenylsulfonylamino)-1,4-dioxobutyl]-methylamino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[4-[(1-carbamimidoylpiperidin-3-yl)methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxobutanoyl]-methylamino]-3-methylpentanoate Traditional Name: 2-[[4-[(1-amidino-3-piperidyl)methylamino]-4-keto-2-(2-naphthylsulfonylamino)butanoyl]-methyl-amino]-3-methyl-valeric acid methyl ester Formula: C29H42N6O6S MolecularWeight: 602.74538

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)N(C)C(=O)C(CC(=O)NCC1CCCN(C1)C(=N)N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCC(C)C(C(=O)OC)N(C)C(=O)C(CC(=O)NCC1CCCN(C1)C(=N)N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C29H42N6O6S/c1-5-19(2)26(28(38)41-4)34(3)27(37)24(16-25(36)32-17-20-9-8-14-35(18-20)29(30)31)33-42(39,40)23-13-12-21-10-6-7-11-22(21)15-23/h6-7,10-13,15,19-20,24,26,33H,5,8-9,14,16-18H2,1-4H3,(H3,30,31)(H,32,36)