methyl 3-[[(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)ethyl]carbamothioylamino]propanoate

Systemtic Name: methyl 3-[[(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)ethyl]carbamothioylamino]propanoate Openeye Name: methyl 3-[[(2S)-2-(benzyloxycarbonylamino)-2-phenyl-ethyl]carbamothioylamino]propanoate CAS Name: 3-[[[[(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)ethyl]amino]-sulfanylidenemethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)ethyl]carbamothioylamino]propanoate Traditional Name: 3-[[(2S)-2-(benzyloxycarbonylamino)-2-phenyl-ethyl]thiocarbamoylamino]propionic acid methyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=S)NCC(C1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCNC(=S)NC[C@H](C1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H25N3O4S/c1-27-19(25)12-13-22-20(29)23-14-18(17-10-6-3-7-11-17)24-21(26)28-15-16-8-4-2-5-9-16/h2-11,18H,12-15H2,1H3,(H,24,26)(H2,22,23,29)/t18-/m1/s1