5-[(3S)-4-[4-(diphenylmethyl)piperazin-1-yl]-3-(1H-indol-2-ylcarbonylamino)-4-oxidanylidene-butyl]-1,3-oxazole-4-carboxylic acid

Systemtic Name: 5-[(3S)-4-[4-(diphenylmethyl)piperazin-1-yl]-3-(1H-indol-2-ylcarbonylamino)-4-oxidanylidene-butyl]-1,3-oxazole-4-carboxylic acid Openeye Name: 5-[(3S)-4-(4-benzhydrylpiperazin-1-yl)-3-(1H-indole-2-carbonylamino)-4-oxo-butyl]oxazole-4-carboxylic acid CAS Name: 5-[(3S)-4-[4-(diphenylmethyl)-1-piperazinyl]-3-[[1H-indol-2-yl(oxo)methyl]amino]-4-oxobutyl]-4-oxazolecarboxylic acid IUPAC Name: 5-[(3S)-4-(4-benzhydrylpiperazin-1-yl)-3-(1H-indole-2-carbonylamino)-4-oxobutyl]-1,3-oxazole-4-carboxylic acid Traditional Name: 5-[(3S)-4-(4-benzhydrylpiperazino)-3-(1H-indole-2-carbonylamino)-4-keto-butyl]oxazole-4-carboxylic acid Formula: C34H33N5O5 MolecularWeight: 591.65632

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C(CCC4=C(N=CO4)C(=O)O)NC(=O)C5=CC6=CC=CC=C6N5

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)[C@H](CCC4=C(N=CO4)C(=O)O)NC(=O)C5=CC6=CC=CC=C6N5

InChI

InChI=1S/C34H33N5O5/c40-32(28-21-25-13-7-8-14-26(25)36-28)37-27(15-16-29-30(34(42)43)35-22-44-29)33(41)39-19-17-38(18-20-39)31(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-14,21-22,27,31,36H,15-20H2,(H,37,40)(H,42,43)/t27-/m0/s1