tert-butyl N-[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-2-oxo-1-(sulfanylmethyl)ethyl]carbamate CAS Name: N-[(2S)-3-mercapto-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxo-3-sulfanylpropan-2-yl]carbamate Traditional Name: N-[(1S)-2-keto-1-(mercaptomethyl)-2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]ethyl]carbamic acid tert-butyl ester Formula: C19H27N3O4S MolecularWeight: 393.50038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CS)C(=O)NCCC1=CNC2=C1C=C(C=C2)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CS)C(=O)NCCC1=CNC2=C1C=C(C=C2)OC

InChI

InChI=1S/C19H27N3O4S/c1-19(2,3)26-18(24)22-16(11-27)17(23)20-8-7-12-10-21-15-6-5-13(25-4)9-14(12)15/h5-6,9-10,16,21,27H,7-8,11H2,1-4H3,(H,20,23)(H,22,24)/t16-/m1/s1