methyl (2S)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamothioylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamothioylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[2-(tert-butoxycarbonylamino)ethylcarbamothioylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethylamino]-sulfanylidenemethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamothioylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[2-(tert-butoxycarbonylamino)ethylthiocarbamoylamino]-3-phenyl-propionic acid methyl ester Formula: C18H27N3O4S MolecularWeight: 381.48968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O4S/c1-18(2,3)25-17(23)20-11-10-19-16(26)21-14(15(22)24-4)12-13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3,(H,20,23)(H2,19,21,26)/t14-/m0/s1