4-azanyl-2-[1-[3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperidin-4-yl]carbonyl-butanoic acid

Systemtic Name: 4-azanyl-2-[1-[3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperidin-4-yl]carbonyl-butanoic acid Openeye Name: 4-amino-2-[1-[3-(3-carbamimidoylphenyl)-2-(2-naphthylsulfonylamino)propanoyl]piperidine-4-carbonyl]butanoic acid CAS Name: 4-amino-2-[[1-[3-(3-carbamimidoylphenyl)-2-(2-naphthalenylsulfonylamino)-1-oxopropyl]-4-piperidinyl]-oxomethyl]butanoic acid IUPAC Name: 4-amino-2-[1-[3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperidine-4-carbonyl]butanoic acid Traditional Name: 2-[1-[3-(3-amidinophenyl)-2-(2-naphthylsulfonylamino)propanoyl]isonipecotoyl]-4-amino-butyric acid Formula: C30H35N5O6S MolecularWeight: 593.6938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)C(CCN)C(=O)O)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCC1C(=O)C(CCN)C(=O)O)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C30H35N5O6S/c31-13-10-25(30(38)39)27(36)21-11-14-35(15-12-21)29(37)26(17-19-4-3-7-23(16-19)28(32)33)34-42(40,41)24-9-8-20-5-1-2-6-22(20)18-24/h1-9,16,18,21,25-26,34H,10-15,17,31H2,(H3,32,33)(H,38,39)