2-azanyl-2-[5-(4-carbamimidoylphenyl)pentanoylamino]-6-(1H-indol-3-yl)-4-oxidanylidene-hexanoic acid

Systemtic Name: 2-azanyl-2-[5-(4-carbamimidoylphenyl)pentanoylamino]-6-(1H-indol-3-yl)-4-oxidanylidene-hexanoic acid Openeye Name: 2-amino-2-[5-(4-carbamimidoylphenyl)pentanoylamino]-6-(1H-indol-3-yl)-4-oxo-hexanoic acid CAS Name: 2-amino-2-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-6-(1H-indol-3-yl)-4-oxohexanoic acid IUPAC Name: 2-amino-2-[5-(4-carbamimidoylphenyl)pentanoylamino]-6-(1H-indol-3-yl)-4-oxohexanoic acid Traditional Name: 2-[5-(4-amidinophenyl)pentanoylamino]-2-amino-6-(1H-indol-3-yl)-4-keto-hexanoic acid Formula: C26H31N5O4 MolecularWeight: 477.55544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCC(=O)CC(C(=O)O)(N)NC(=O)CCCCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCC(=O)CC(C(=O)O)(N)NC(=O)CCCCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C26H31N5O4/c27-24(28)18-11-9-17(10-12-18)5-1-4-8-23(33)31-26(29,25(34)35)15-20(32)14-13-19-16-30-22-7-3-2-6-21(19)22/h2-3,6-7,9-12,16,30H,1,4-5,8,13-15,29H2,(H3,27,28)(H,31,33)(H,34,35)