5-chloranyl-2-[[5-oxidanylidene-2-(phenylmethoxycarbonylamino)-5-(4-phenylpiperazin-1-yl)pentanoyl]amino]benzoic acid

Systemtic Name: 5-chloranyl-2-[[5-oxidanylidene-2-(phenylmethoxycarbonylamino)-5-(4-phenylpiperazin-1-yl)pentanoyl]amino]benzoic acid Openeye Name: 2-[[2-(benzyloxycarbonylamino)-5-oxo-5-(4-phenylpiperazin-1-yl)pentanoyl]amino]-5-chloro-benzoic acid CAS Name: 5-chloro-2-[[1,5-dioxo-2-(phenylmethoxycarbonylamino)-5-(4-phenyl-1-piperazinyl)pentyl]amino]benzoic acid IUPAC Name: 5-chloro-2-[[5-oxo-2-(phenylmethoxycarbonylamino)-5-(4-phenylpiperazin-1-yl)pentanoyl]amino]benzoic acid Traditional Name: 2-[[2-(benzyloxycarbonylamino)-5-keto-5-(4-phenylpiperazino)pentanoyl]amino]-5-chloro-benzoic acid Formula: C30H31ClN4O6 MolecularWeight: 579.04334

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CCC(C(=O)NC3=C(C=C(C=C3)Cl)C(=O)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CCC(C(=O)NC3=C(C=C(C=C3)Cl)C(=O)O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H31ClN4O6/c31-22-11-12-25(24(19-22)29(38)39)32-28(37)26(33-30(40)41-20-21-7-3-1-4-8-21)13-14-27(36)35-17-15-34(16-18-35)23-9-5-2-6-10-23/h1-12,19,26H,13-18,20H2,(H,32,37)(H,33,40)(H,38,39)