1,3-bis(3-phenylpropanoylamino)propan-2-yl 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]ethanoate

Systemtic Name: 1,3-bis(3-phenylpropanoylamino)propan-2-yl 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]ethanoate Openeye Name: [2-(3-phenylpropanoylamino)-1-[(3-phenylpropanoylamino)methyl]ethyl] 2-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]acetate CAS Name: 2-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]acetic acid 1,3-bis[(1-oxo-3-phenylpropyl)amino]propan-2-yl ester IUPAC Name: 1,3-bis(3-phenylpropanoylamino)propan-2-yl 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetate Traditional Name: 2-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]acetic acid [2-(hydrocinnamoylamino)-1-[(hydrocinnamoylamino)methyl]ethyl] ester Formula: C35H41N3O6S MolecularWeight: 631.78154

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NCC(=O)OC(CNC(=O)CCC2=CC=CC=C2)CNC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NCC(=O)OC(CNC(=O)CCC2=CC=CC=C2)CNC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C35H41N3O6S/c1-26(39)45-25-30(21-29-15-9-4-10-16-29)35(43)38-24-34(42)44-31(22-36-32(40)19-17-27-11-5-2-6-12-27)23-37-33(41)20-18-28-13-7-3-8-14-28/h2-16,30-31H,17-25H2,1H3,(H,36,40)(H,37,41)(H,38,43)