octyl 2-acetamido-5-[[1-[(2-dodecoxy-2-oxidanylidene-1-phenyl-ethyl)amino]-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: octyl 2-acetamido-5-[[1-[(2-dodecoxy-2-oxidanylidene-1-phenyl-ethyl)amino]-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: octyl 2-acetamido-5-[[1-(benzylsulfanylmethyl)-2-[(2-dodecoxy-2-oxo-1-phenyl-ethyl)amino]-2-oxo-ethyl]amino]-5-oxo-pentanoate CAS Name: 2-acetamido-5-[[1-[(2-dodecoxy-2-oxo-1-phenylethyl)amino]-1-oxo-3-(phenylmethylthio)propan-2-yl]amino]-5-oxopentanoic acid octyl ester IUPAC Name: octyl 2-acetamido-5-[[3-benzylsulfanyl-1-[(2-dodecoxy-2-oxo-1-phenylethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate Traditional Name: 2-acetamido-5-[[1-[(benzylthio)methyl]-2-keto-2-[(2-keto-2-lauryloxy-1-phenyl-ethyl)amino]ethyl]amino]-5-keto-valeric acid octyl ester Formula: C45H69N3O7S MolecularWeight: 796.11026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C(C1=CC=CC=C1)NC(=O)C(CSCC2=CC=CC=C2)NC(=O)CCC(C(=O)OCCCCCCCC)NC(=O)C

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C(C1=CC=CC=C1)NC(=O)C(CSCC2=CC=CC=C2)NC(=O)CCC(C(=O)OCCCCCCCC)NC(=O)C

InChI

InChI=1S/C45H69N3O7S/c1-4-6-8-10-12-13-14-15-17-25-33-55-45(53)42(38-28-22-19-23-29-38)48-43(51)40(35-56-34-37-26-20-18-21-27-37)47-41(50)31-30-39(46-36(3)49)44(52)54-32-24-16-11-9-7-5-2/h18-23,26-29,39-40,42H,4-17,24-25,30-35H2,1-3H3,(H,46,49)(H,47,50)(H,48,51)