2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethanoylamino]-5-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: 2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethanoylamino]-5-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: 5-(benzyloxycarbonylamino)-2-[[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]acetyl]amino]pentanoic acid CAS Name: 2-[[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]-1-oxoethyl]amino]-5-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 2-[[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]acetyl]amino]-5-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 2-[[2-[6-amidino-2-(4-amidinophenyl)-1H-indol-3-yl]acetyl]amino]-5-(benzyloxycarbonylamino)valeric acid Formula: C31H33N7O5 MolecularWeight: 583.63762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCCC(C(=O)O)NC(=O)CC2=C(NC3=C2C=CC(=C3)C(=N)N)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCCC(C(=O)O)NC(=O)CC2=C(NC3=C2C=CC(=C3)C(=N)N)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C31H33N7O5/c32-28(33)20-10-8-19(9-11-20)27-23(22-13-12-21(29(34)35)15-25(22)38-27)16-26(39)37-24(30(40)41)7-4-14-36-31(42)43-17-18-5-2-1-3-6-18/h1-3,5-6,8-13,15,24,38H,4,7,14,16-17H2,(H3,32,33)(H3,34,35)(H,36,42)(H,37,39)(H,40,41)