methyl 2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethanoylamino]-5-(phenoxycarbonylamino)pentanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCNC(=O)OC1=CC=CC=C1)NC(=O)CC2=C(NC3=C2C=CC(=C3)C(=N)N)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

COC(=O)C(CCCNC(=O)OC1=CC=CC=C1)NC(=O)CC2=C(NC3=C2C=CC(=C3)C(=N)N)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C31H33N7O5/c1-42-30(40)24(8-5-15-36-31(41)43-21-6-3-2-4-7-21)37-26(39)17-23-22-14-13-20(29(34)35)16-25(22)38-27(23)18-9-11-19(12-10-18)28(32)33/h2-4,6-7,9-14,16,24,38H,5,8,15,17H2,1H3,(H3,32,33)(H3,34,35)(H,36,41)(H,37,39)