hexadecyl 2-azanyl-5-[[1-[(2-ethoxy-2-oxidanylidene-1-phenyl-ethyl)amino]-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: hexadecyl 2-azanyl-5-[[1-[(2-ethoxy-2-oxidanylidene-1-phenyl-ethyl)amino]-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: hexadecyl 2-amino-5-[[1-(benzylsulfanylmethyl)-2-[(2-ethoxy-2-oxo-1-phenyl-ethyl)amino]-2-oxo-ethyl]amino]-5-oxo-pentanoate CAS Name: 2-amino-5-[[1-[(2-ethoxy-2-oxo-1-phenylethyl)amino]-1-oxo-3-(phenylmethylthio)propan-2-yl]amino]-5-oxopentanoic acid hexadecyl ester IUPAC Name: hexadecyl 2-amino-5-[[3-benzylsulfanyl-1-[(2-ethoxy-2-oxo-1-phenylethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate Traditional Name: 2-amino-5-[[1-[(benzylthio)methyl]-2-[(2-ethoxy-2-keto-1-phenyl-ethyl)amino]-2-keto-ethyl]amino]-5-keto-valeric acid cetyl ester Formula: C41H63N3O6S MolecularWeight: 726.02042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C(CCC(=O)NC(CSCC1=CC=CC=C1)C(=O)NC(C2=CC=CC=C2)C(=O)OCC)N

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C(CCC(=O)NC(CSCC1=CC=CC=C1)C(=O)NC(C2=CC=CC=C2)C(=O)OCC)N

InChI

InChI=1S/C41H63N3O6S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-23-30-50-40(47)35(42)28-29-37(45)43-36(32-51-31-33-24-19-17-20-25-33)39(46)44-38(41(48)49-4-2)34-26-21-18-22-27-34/h17-22,24-27,35-36,38H,3-16,23,28-32,42H2,1-2H3,(H,43,45)(H,44,46)