tert-butyl (2S)-2-[[4-(2-azanyl-1,3-thiazol-4-yl)phenyl]carbamoylamino]-3-phenyl-propanoate

Systemtic Name: tert-butyl (2S)-2-[[4-(2-azanyl-1,3-thiazol-4-yl)phenyl]carbamoylamino]-3-phenyl-propanoate Openeye Name: tert-butyl (2S)-2-[[4-(2-aminothiazol-4-yl)phenyl]carbamoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[4-(2-amino-4-thiazolyl)anilino]-oxomethyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[4-(2-amino-1,3-thiazol-4-yl)phenyl]carbamoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[[4-(2-aminothiazol-4-yl)phenyl]carbamoylamino]-3-phenyl-propionic acid tert-butyl ester Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O3S/c1-23(2,3)30-20(28)18(13-15-7-5-4-6-8-15)27-22(29)25-17-11-9-16(10-12-17)19-14-31-21(24)26-19/h4-12,14,18H,13H2,1-3H3,(H2,24,26)(H2,25,27,29)/t18-/m0/s1