tert-butyl N-[1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-N-butylsulfonyl-carbamate

Systemtic Name: tert-butyl N-[1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-N-butylsulfonyl-carbamate Openeye Name: tert-butyl N-[2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-N-butylsulfonyl-carbamate CAS Name: N-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-butylsulfonylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-butylsulfonylcarbamate Traditional Name: N-[2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-N-butylsulfonyl-carbamic acid tert-butyl ester Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N(C(CC1=CNC2=CC=CC=C21)C(=O)N)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCS(=O)(=O)N(C(CC1=CNC2=CC=CC=C21)C(=O)N)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H29N3O5S/c1-5-6-11-29(26,27)23(19(25)28-20(2,3)4)17(18(21)24)12-14-13-22-16-10-8-7-9-15(14)16/h7-10,13,17,22H,5-6,11-12H2,1-4H3,(H2,21,24)