methyl 2-[[1-[2-[(1-ethoxy-3-heptylsulfanyl-1-oxidanylidene-propan-2-yl)amino]propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[1-[2-[(1-ethoxy-3-heptylsulfanyl-1-oxidanylidene-propan-2-yl)amino]propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[1-[2-[[2-ethoxy-1-(heptylsulfanylmethyl)-2-oxo-ethyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[1-[2-[[1-ethoxy-3-(heptylthio)-1-oxopropan-2-yl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[1-[2-[(1-ethoxy-3-heptylsulfanyl-1-oxopropan-2-yl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[1-[2-[[2-ethoxy-1-[(heptylthio)methyl]-2-keto-ethyl]amino]propanoyl]prolyl]amino]-3-phenyl-propionic acid methyl ester Formula: C30H47N3O6S MolecularWeight: 577.77568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSCC(C(=O)OCC)NC(C)C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCCCCCCSCC(C(=O)OCC)NC(C)C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C30H47N3O6S/c1-5-7-8-9-13-19-40-21-25(30(37)39-6-2)31-22(3)28(35)33-18-14-17-26(33)27(34)32-24(29(36)38-4)20-23-15-11-10-12-16-23/h10-12,15-16,22,24-26,31H,5-9,13-14,17-21H2,1-4H3,(H,32,34)