[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 3-(1H-indol-3-yl)-2-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 3-(1H-indol-3-yl)-2-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[oxo(thiophen-2-yl)methyl]amino]propanoic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate Traditional Name: 3-(1H-indol-3-yl)-2-(2-thenoylamino)propionic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=O)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=O)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CS4

InChI

InChI=1S/C27H27N3O4S/c31-25(28-14-6-10-19-8-2-1-3-9-19)18-34-27(33)23(30-26(32)24-13-7-15-35-24)16-20-17-29-22-12-5-4-11-21(20)22/h1-5,7-9,11-13,15,17,23,29H,6,10,14,16,18H2,(H,28,31)(H,30,32)