4-[[4-azanyl-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]-methyl-amino]-4-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-ethyl-5-methoxy-3-methyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[[4-azanyl-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]-methyl-amino]-4-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-ethyl-5-methoxy-3-methyl-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[4-amino-2-(2-naphthylsulfonylamino)-4-oxo-butanoyl]-methyl-amino]-4-[(1-carbamimidoyl-3-piperidyl)methyl]-3-ethyl-5-methoxy-3-methyl-5-oxo-pentanoic acid CAS Name: 4-[[4-amino-2-(2-naphthalenylsulfonylamino)-1,4-dioxobutyl]-methylamino]-4-[(1-carbamimidoyl-3-piperidinyl)methyl]-3-ethyl-5-methoxy-3-methyl-5-oxopentanoic acid IUPAC Name: 4-[[4-amino-2-(naphthalen-2-ylsulfonylamino)-4-oxobutanoyl]-methylamino]-4-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-ethyl-5-methoxy-3-methyl-5-oxopentanoic acid Traditional Name: 4-[(1-amidino-3-piperidyl)methyl]-4-[[4-amino-4-keto-2-(2-naphthylsulfonylamino)butanoyl]-methyl-amino]-3-ethyl-5-keto-5-methoxy-3-methyl-valeric acid Formula: C31H44N6O8S MolecularWeight: 660.78146

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(=O)O)C(CC1CCCN(C1)C(=N)N)(C(=O)OC)N(C)C(=O)C(CC(=O)N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCC(C)(CC(=O)O)C(CC1CCCN(C1)C(=N)N)(C(=O)OC)N(C)C(=O)C(CC(=O)N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C31H44N6O8S/c1-5-30(2,18-26(39)40)31(28(42)45-4,17-20-9-8-14-37(19-20)29(33)34)36(3)27(41)24(16-25(32)38)35-46(43,44)23-13-12-21-10-6-7-11-22(21)15-23/h6-7,10-13,15,20,24,35H,5,8-9,14,16-19H2,1-4H3,(H2,32,38)(H3,33,34)(H,39,40)