ethyl (2R)-2-[3-[[(2R)-1-ethoxy-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]amino]propylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: ethyl (2R)-2-[3-[[(2R)-1-ethoxy-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]amino]propylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl (2R)-3-benzylsulfanyl-2-[3-[[(1R)-1-(benzylsulfanylmethyl)-2-ethoxy-2-oxo-ethyl]amino]propylamino]propanoate CAS Name: (2R)-2-[3-[[(2R)-1-ethoxy-1-oxo-3-(phenylmethylthio)propan-2-yl]amino]propylamino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl (2R)-3-benzylsulfanyl-2-[3-[[(2R)-3-benzylsulfanyl-1-ethoxy-1-oxopropan-2-yl]amino]propylamino]propanoate Traditional Name: (2R)-3-(benzylthio)-2-[3-[[(1R)-1-[(benzylthio)methyl]-2-ethoxy-2-keto-ethyl]amino]propylamino]propionic acid ethyl ester Formula: C27H38N2O4S2 MolecularWeight: 518.73162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC1=CC=CC=C1)NCCCNC(CSCC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)[C@H](CSCC1=CC=CC=C1)NCCCN[C@@H](CSCC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C27H38N2O4S2/c1-3-32-26(30)24(20-34-18-22-12-7-5-8-13-22)28-16-11-17-29-25(27(31)33-4-2)21-35-19-23-14-9-6-10-15-23/h5-10,12-15,24-25,28-29H,3-4,11,16-21H2,1-2H3/t24-,25-/m0/s1