S-(phenylmethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanethioate

Systemtic Name: S-(phenylmethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanethioate Openeye Name: S-benzyl (2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanethioate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanethioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanethioate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanethioic acid S-benzyl ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)SCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)SCC2=CC=CC=C2

InChI

InChI=1S/C21H25NO3S/c1-21(2,3)25-20(24)22-18(14-16-10-6-4-7-11-16)19(23)26-15-17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3,(H,22,24)/t18-/m0/s1