[2-oxidanylidene-2-[[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]amino]ethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]amino]ethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: [2-[[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]amino]-2-oxo-ethyl] 1-methylsulfonylindoline-5-carboxylate CAS Name: 1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid [2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: 1-mesylindoline-5-carboxylic acid [2-keto-2-[[(1S)-2-keto-1-methyl-2-(propylamino)ethyl]amino]ethyl] ester Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)COC(=O)C1=CC2=C(C=C1)N(CC2)S(=O)(=O)C

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)COC(=O)C1=CC2=C(C=C1)N(CC2)S(=O)(=O)C

InChI

InChI=1S/C18H25N3O6S/c1-4-8-19-17(23)12(2)20-16(22)11-27-18(24)14-5-6-15-13(10-14)7-9-21(15)28(3,25)26/h5-6,10,12H,4,7-9,11H2,1-3H3,(H,19,23)(H,20,22)/t12-/m0/s1