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

Systemtic Name: methyl (2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanethioyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(2R)-2-(tert-butoxycarbonylamino)propanethioyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-sulfanylidenepropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanethioyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2R)-2-(tert-butoxycarbonylamino)propanethioyl]amino]-3-phenyl-propionic acid methyl ester Formula: C18H26N2O4S MolecularWeight: 366.47504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O4S/c1-12(19-17(22)24-18(2,3)4)15(25)20-14(16(21)23-5)11-13-9-7-6-8-10-13/h6-10,12,14H,11H2,1-5H3,(H,19,22)(H,20,25)/t12-,14+/m1/s1