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

Systemtic Name: tert-butyl N-[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-[2-(1H-indol-3-yl)ethylamino]-2-oxo-1-(sulfanylmethyl)ethyl]carbamate CAS Name: N-[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-3-mercapto-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxo-3-sulfanylpropan-2-yl]carbamate Traditional Name: N-[(1S)-2-[2-(1H-indol-3-yl)ethylamino]-2-keto-1-(mercaptomethyl)ethyl]carbamic acid tert-butyl ester Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CS)C(=O)NCCC1=CNC2=CC=CC=C21

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CS)C(=O)NCCC1=CNC2=CC=CC=C21

InChI

InChI=1S/C18H25N3O3S/c1-18(2,3)24-17(23)21-15(11-25)16(22)19-9-8-12-10-20-14-7-5-4-6-13(12)14/h4-7,10,15,20,25H,8-9,11H2,1-3H3,(H,19,22)(H,21,23)/t15-/m1/s1