tert-butyl N-[(2S)-1-oxidanylidene-1-(quinolin-3-ylamino)-7-sulfanyl-heptan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-oxidanylidene-1-(quinolin-3-ylamino)-7-sulfanyl-heptan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-(3-quinolylcarbamoyl)-6-sulfanyl-hexyl]carbamate CAS Name: N-[(2S)-7-mercapto-1-oxo-1-(3-quinolinylamino)heptan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-oxo-1-(quinolin-3-ylamino)-7-sulfanylheptan-2-yl]carbamate Traditional Name: N-[(1S)-6-mercapto-1-(3-quinolylcarbamoyl)hexyl]carbamic acid tert-butyl ester Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCCS)C(=O)NC1=CC2=CC=CC=C2N=C1

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1=CC2=CC=CC=C2N=C1

InChI

InChI=1S/C21H29N3O3S/c1-21(2,3)27-20(26)24-18(11-5-4-8-12-28)19(25)23-16-13-15-9-6-7-10-17(15)22-14-16/h6-7,9-10,13-14,18,28H,4-5,8,11-12H2,1-3H3,(H,23,25)(H,24,26)/t18-/m0/s1