ethyl 2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-3-sulfanyl-propanoate

Systemtic Name: ethyl 2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-3-sulfanyl-propanoate Openeye Name: ethyl 2-[[2-(benzyloxycarbonylamino)-3-phenyl-propyl]amino]-3-sulfanyl-propanoate CAS Name: 3-mercapto-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-3-sulfanylpropanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-phenyl-propyl]amino]-3-mercapto-propionic acid ethyl ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NCC(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(CS)NCC(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O4S/c1-2-27-21(25)20(16-29)23-14-19(13-17-9-5-3-6-10-17)24-22(26)28-15-18-11-7-4-8-12-18/h3-12,19-20,23,29H,2,13-16H2,1H3,(H,24,26)