5-[[(2S)-1-[[3,5-bis(phenylmethoxycarbonyl)phenyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-1H-indole-6-carboxylic acid

Systemtic Name: 5-[[(2S)-1-[[3,5-bis(phenylmethoxycarbonyl)phenyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-1H-indole-6-carboxylic acid Openeye Name: 5-[[(1S)-1-benzyl-2-[3,5-bis(benzyloxycarbonyl)anilino]-2-oxo-ethyl]carbamoyl]-1H-indole-6-carboxylic acid CAS Name: 5-[[[(2S)-1-[3,5-bis(phenylmethoxycarbonyl)anilino]-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-1H-indole-6-carboxylic acid IUPAC Name: 5-[[(2S)-1-[3,5-bis(phenylmethoxycarbonyl)anilino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]-1H-indole-6-carboxylic acid Traditional Name: 5-[[(1S)-1-benzyl-2-(3,5-dicarbobenzoxyanilino)-2-keto-ethyl]carbamoyl]-1H-indole-6-carboxylic acid Formula: C41H33N3O8 MolecularWeight: 695.71602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC2=CC(=CC(=C2)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)NC(=O)C5=C(C=C6C(=C5)C=CN6)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NC2=CC(=CC(=C2)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)NC(=O)C5=C(C=C6C(=C5)C=CN6)C(=O)O

InChI

InChI=1S/C41H33N3O8/c45-37(33-22-29-16-17-42-35(29)23-34(33)39(47)48)44-36(18-26-10-4-1-5-11-26)38(46)43-32-20-30(40(49)51-24-27-12-6-2-7-13-27)19-31(21-32)41(50)52-25-28-14-8-3-9-15-28/h1-17,19-23,36,42H,18,24-25H2,(H,43,46)(H,44,45)(H,47,48)/t36-/m0/s1