ethyl 3-[[4-[(1-carbamimidoylpiperidin-3-yl)methyl-methyl-amino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]-cyclopropyl-amino]propanoate

Systemtic Name: ethyl 3-[[4-[(1-carbamimidoylpiperidin-3-yl)methyl-methyl-amino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]-cyclopropyl-amino]propanoate Openeye Name: ethyl 3-[[4-[(1-carbamimidoyl-3-piperidyl)methyl-methyl-amino]-2-(2-naphthylsulfonylamino)-4-oxo-butanoyl]-cyclopropyl-amino]propanoate CAS Name: 3-[[4-[(1-carbamimidoyl-3-piperidinyl)methyl-methylamino]-2-(2-naphthalenylsulfonylamino)-1,4-dioxobutyl]-cyclopropylamino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[(1-carbamimidoylpiperidin-3-yl)methyl-methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxobutanoyl]-cyclopropylamino]propanoate Traditional Name: 3-[[4-[(1-amidino-3-piperidyl)methyl-methyl-amino]-4-keto-2-(2-naphthylsulfonylamino)butanoyl]-cyclopropyl-amino]propionic acid ethyl ester Formula: C30H42N6O6S MolecularWeight: 614.75608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1CC1)C(=O)C(CC(=O)N(C)CC2CCCN(C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)CCN(C1CC1)C(=O)C(CC(=O)N(C)CC2CCCN(C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C30H42N6O6S/c1-3-42-28(38)14-16-36(24-11-12-24)29(39)26(18-27(37)34(2)19-21-7-6-15-35(20-21)30(31)32)33-43(40,41)25-13-10-22-8-4-5-9-23(22)17-25/h4-5,8-10,13,17,21,24,26,33H,3,6-7,11-12,14-16,18-20H2,1-2H3,(H3,31,32)