tert-butyl (2S)-3-[4-(carbamothioylamino)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: tert-butyl (2S)-3-[4-(carbamothioylamino)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: tert-butyl (2S)-2-(tert-butoxycarbonylamino)-3-[4-(carbamothioylamino)phenyl]propanoate CAS Name: (2S)-3-[4-(carbamothioylamino)phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-3-[4-(carbamothioylamino)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(4-thioureidophenyl)propionic acid tert-butyl ester Formula: C19H29N3O4S MolecularWeight: 395.51626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)NC(=S)N)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC1=CC=C(C=C1)NC(=S)N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C19H29N3O4S/c1-18(2,3)25-15(23)14(22-17(24)26-19(4,5)6)11-12-7-9-13(10-8-12)21-16(20)27/h7-10,14H,11H2,1-6H3,(H,22,24)(H3,20,21,27)/t14-/m0/s1