2-[4-azanylbutanoyl-[3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]amino]ethanoic acid

Systemtic Name: 2-[4-azanylbutanoyl-[3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]amino]ethanoic acid Openeye Name: 2-[4-aminobutanoyl-[3-(3-carbamimidoylphenyl)-2-(2-naphthylsulfonylamino)propanoyl]amino]acetic acid CAS Name: 2-[(4-amino-1-oxobutyl)-[3-(3-carbamimidoylphenyl)-2-(2-naphthalenylsulfonylamino)-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[4-aminobutanoyl-[3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]amino]acetic acid Traditional Name: 2-[[3-(3-amidinophenyl)-2-(2-naphthylsulfonylamino)propanoyl]-(4-aminobutanoyl)amino]acetic acid Formula: C26H29N5O6S MolecularWeight: 539.60336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NC(CC3=CC=CC(=C3)C(=N)N)C(=O)N(CC(=O)O)C(=O)CCCN

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NC(CC3=CC=CC(=C3)C(=N)N)C(=O)N(CC(=O)O)C(=O)CCCN

InChI

InChI=1S/C26H29N5O6S/c27-12-4-9-23(32)31(16-24(33)34)26(35)22(14-17-5-3-8-20(13-17)25(28)29)30-38(36,37)21-11-10-18-6-1-2-7-19(18)15-21/h1-3,5-8,10-11,13,15,22,30H,4,9,12,14,16,27H2,(H3,28,29)(H,33,34)