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

Systemtic Name: methyl (2S)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanethioyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanethioyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-sulfanylidenebutyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanethioyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanethioyl]amino]-3-phenyl-propionic acid methyl ester Formula: C20H30N2O4S MolecularWeight: 394.5282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O4S/c1-13(2)16(22-19(24)26-20(3,4)5)17(27)21-15(18(23)25-6)12-14-10-8-7-9-11-14/h7-11,13,15-16H,12H2,1-6H3,(H,21,27)(H,22,24)/t15-,16-/m0/s1