3-(1H-indol-3-yl)-2-[[5-oxidanylidene-5-phenylmethoxy-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[[5-oxidanylidene-5-phenylmethoxy-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoic acid Openeye Name: 2-[[5-benzyloxy-2-(benzyloxycarbonylamino)-5-oxo-pentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[1,5-dioxo-5-phenylmethoxy-2-(phenylmethoxycarbonylamino)pentyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[5-oxo-5-phenylmethoxy-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoic acid Traditional Name: 2-[[5-benzoxy-2-(benzyloxycarbonylamino)-5-keto-pentanoyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C31H31N3O7 MolecularWeight: 557.59374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCC(C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCC(C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C31H31N3O7/c35-28(40-19-21-9-3-1-4-10-21)16-15-26(34-31(39)41-20-22-11-5-2-6-12-22)29(36)33-27(30(37)38)17-23-18-32-25-14-8-7-13-24(23)25/h1-14,18,26-27,32H,15-17,19-20H2,(H,33,36)(H,34,39)(H,37,38)