tert-butyl N-[(2S)-1-[[4-(2-azanyl-1,3-thiazol-4-yl)phenyl]amino]-1-oxidanylidene-3-pyridin-3-yl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[[4-(2-azanyl-1,3-thiazol-4-yl)phenyl]amino]-1-oxidanylidene-3-pyridin-3-yl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-[4-(2-aminothiazol-4-yl)anilino]-2-oxo-1-(3-pyridylmethyl)ethyl]carbamate CAS Name: N-[(2S)-1-[4-(2-amino-4-thiazolyl)anilino]-1-oxo-3-(3-pyridinyl)propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[4-(2-amino-1,3-thiazol-4-yl)anilino]-1-oxo-3-pyridin-3-ylpropan-2-yl]carbamate Traditional Name: N-[(1S)-2-[4-(2-aminothiazol-4-yl)anilino]-2-keto-1-(3-pyridylmethyl)ethyl]carbamic acid tert-butyl ester Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CN=CC=C1)C(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CN=CC=C1)C(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N

InChI

InChI=1S/C22H25N5O3S/c1-22(2,3)30-21(29)27-17(11-14-5-4-10-24-12-14)19(28)25-16-8-6-15(7-9-16)18-13-31-20(23)26-18/h4-10,12-13,17H,11H2,1-3H3,(H2,23,26)(H,25,28)(H,27,29)/t17-/m0/s1