[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] (2S)-2-[(4-fluorophenyl)carbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] (2S)-2-[(4-fluorophenyl)carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl] (2S)-2-[(4-fluorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[(4-fluorophenyl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] (2S)-2-[(4-fluorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[(4-fluorobenzoyl)amino]-3-(1H-indol-3-yl)propionic acid [2-(7-ethyl-1H-indol-3-yl)-2-keto-ethyl] ester Formula: C30H26FN3O4 MolecularWeight: 511.543543

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=C(C=C5)F

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C30H26FN3O4/c1-2-18-6-5-8-23-24(16-33-28(18)23)27(35)17-38-30(37)26(34-29(36)19-10-12-21(31)13-11-19)14-20-15-32-25-9-4-3-7-22(20)25/h3-13,15-16,26,32-33H,2,14,17H2,1H3,(H,34,36)/t26-/m0/s1