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

Systemtic Name: 4-azanyl-2-[1-[3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidin-2-yl]carbonyl-butanoic acid Openeye Name: 4-amino-2-[1-[3-(3-carbamimidoylphenyl)-2-(2-naphthylsulfonylamino)propanoyl]pyrrolidine-2-carbonyl]butanoic acid CAS Name: 4-amino-2-[[1-[3-(3-carbamimidoylphenyl)-2-(2-naphthalenylsulfonylamino)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]butanoic acid IUPAC Name: 4-amino-2-[1-[3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-2-carbonyl]butanoic acid Traditional Name: 2-[1-[3-(3-amidinophenyl)-2-(2-naphthylsulfonylamino)propanoyl]prolyl]-4-amino-butyric acid Formula: C29H33N5O6S MolecularWeight: 579.66722

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)C(CCN)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)C(CCN)C(=O)O

InChI

InChI=1S/C29H33N5O6S/c30-13-12-23(29(37)38)26(35)25-9-4-14-34(25)28(36)24(16-18-5-3-8-21(15-18)27(31)32)33-41(39,40)22-11-10-19-6-1-2-7-20(19)17-22/h1-3,5-8,10-11,15,17,23-25,33H,4,9,12-14,16,30H2,(H3,31,32)(H,37,38)