tert-butyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-4-(quinolin-6-ylamino)butanoate

Systemtic Name: tert-butyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-4-(quinolin-6-ylamino)butanoate Openeye Name: tert-butyl (3S)-3-(tert-butoxycarbonylamino)-4-oxo-4-(6-quinolylamino)butanoate CAS Name: (3S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-4-(6-quinolinylamino)butanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(quinolin-6-ylamino)butanoate Traditional Name: (3S)-3-(tert-butoxycarbonylamino)-4-keto-4-(6-quinolylamino)butyric acid tert-butyl ester Formula: C22H29N3O5 MolecularWeight: 415.48276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C(=O)NC1=CC2=C(C=C1)N=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C[C@@H](C(=O)NC1=CC2=C(C=C1)N=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H29N3O5/c1-21(2,3)29-18(26)13-17(25-20(28)30-22(4,5)6)19(27)24-15-9-10-16-14(12-15)8-7-11-23-16/h7-12,17H,13H2,1-6H3,(H,24,27)(H,25,28)/t17-/m0/s1