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

Systemtic Name: ethyl 3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]carbamothioylamino]propanoate Openeye Name: ethyl 3-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propyl]carbamothioylamino]propanoate CAS Name: 3-[[[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]carbamothioylamino]propanoate Traditional Name: 3-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propyl]thiocarbamoylamino]propionic acid ethyl ester Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=S)NCC(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCNC(=S)NC[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H29N3O4S/c1-2-29-21(27)13-14-24-22(31)25-16-20(15-18-9-5-3-6-10-18)26-23(28)30-17-19-11-7-4-8-12-19/h3-12,20H,2,13-17H2,1H3,(H,26,28)(H2,24,25,31)/t20-/m0/s1