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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] (2S)-3-(1H-indol-3-yl)-2-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: [2-(1-adamantylamino)-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-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-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-(1-adamantylamino)-2-keto-ethyl] ester Formula: C28H31N3O4S MolecularWeight: 505.62844

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C6=CC=CS6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)C6=CC=CS6

InChI

InChI=1S/C28H31N3O4S/c32-25(31-28-12-17-8-18(13-28)10-19(9-17)14-28)16-35-27(34)23(30-26(33)24-6-3-7-36-24)11-20-15-29-22-5-2-1-4-21(20)22/h1-7,15,17-19,23,29H,8-14,16H2,(H,30,33)(H,31,32)/t17?,18?,19?,23-,28?/m0/s1