3-[1-(diphenylmethyl)-5-(1H-indol-2-ylcarbonylamino)-4-pentanoyl-piperazin-2-yl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 3-[1-(diphenylmethyl)-5-(1H-indol-2-ylcarbonylamino)-4-pentanoyl-piperazin-2-yl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 3-[1-benzhydryl-5-(1H-indole-2-carbonylamino)-4-pentanoyl-piperazin-2-yl]triazole-4-carboxylic acid CAS Name: 3-[1-(diphenylmethyl)-5-[[1H-indol-2-yl(oxo)methyl]amino]-4-(1-oxopentyl)-2-piperazinyl]-4-triazolecarboxylic acid IUPAC Name: 3-[1-benzhydryl-5-(1H-indole-2-carbonylamino)-4-pentanoylpiperazin-2-yl]triazole-4-carboxylic acid Traditional Name: 3-[1-benzhydryl-5-(1H-indole-2-carbonylamino)-4-valeryl-piperazin-2-yl]triazole-4-carboxylic acid Formula: C34H35N7O4 MolecularWeight: 605.6862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CC(N(CC1NC(=O)C2=CC3=CC=CC=C3N2)C(C4=CC=CC=C4)C5=CC=CC=C5)N6C(=CN=N6)C(=O)O

Isomeric SMILES

CCCCC(=O)N1CC(N(CC1NC(=O)C2=CC3=CC=CC=C3N2)C(C4=CC=CC=C4)C5=CC=CC=C5)N6C(=CN=N6)C(=O)O

InChI

InChI=1S/C34H35N7O4/c1-2-3-18-31(42)39-22-30(41-28(34(44)45)20-35-38-41)40(32(23-12-6-4-7-13-23)24-14-8-5-9-15-24)21-29(39)37-33(43)27-19-25-16-10-11-17-26(25)36-27/h4-17,19-20,29-30,32,36H,2-3,18,21-22H2,1H3,(H,37,43)(H,44,45)