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

Systemtic Name: [2-(cyclohexylamino)-2-oxidanylidene-ethyl] (2S)-3-(1H-indol-3-yl)-2-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: [2-(cyclohexylamino)-2-oxo-ethyl] (2S)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[oxo(thiophen-2-yl)methyl]amino]propanoic acid [2-(cyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylamino)-2-oxoethyl] (2S)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-(2-thenoylamino)propionic acid [2-(cyclohexylamino)-2-keto-ethyl] ester Formula: C24H27N3O4S MolecularWeight: 453.55388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CS4

Isomeric SMILES

C1CCC(CC1)NC(=O)COC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CS4

InChI

InChI=1S/C24H27N3O4S/c28-22(26-17-7-2-1-3-8-17)15-31-24(30)20(27-23(29)21-11-6-12-32-21)13-16-14-25-19-10-5-4-9-18(16)19/h4-6,9-12,14,17,20,25H,1-3,7-8,13,15H2,(H,26,28)(H,27,29)/t20-/m0/s1