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

Systemtic Name: ethyl 2-azanyl-5-[[1-[(2-icosoxy-2-oxidanylidene-1-phenyl-ethyl)amino]-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: ethyl 2-amino-5-[[1-(benzylsulfanylmethyl)-2-[(2-icosoxy-2-oxo-1-phenyl-ethyl)amino]-2-oxo-ethyl]amino]-5-oxo-pentanoate CAS Name: 2-amino-5-[[1-[(2-eicosoxy-2-oxo-1-phenylethyl)amino]-1-oxo-3-(phenylmethylthio)propan-2-yl]amino]-5-oxopentanoic acid ethyl ester IUPAC Name: ethyl 2-amino-5-[[3-benzylsulfanyl-1-[(2-icosoxy-2-oxo-1-phenylethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate Traditional Name: 2-amino-5-[[2-[(2-arachyloxy-2-keto-1-phenyl-ethyl)amino]-1-[(benzylthio)methyl]-2-keto-ethyl]amino]-5-keto-valeric acid ethyl ester Formula: C45H71N3O6S MolecularWeight: 782.12674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCOC(=O)C(C1=CC=CC=C1)NC(=O)C(CSCC2=CC=CC=C2)NC(=O)CCC(C(=O)OCC)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOC(=O)C(C1=CC=CC=C1)NC(=O)C(CSCC2=CC=CC=C2)NC(=O)CCC(C(=O)OCC)N

InChI

InChI=1S/C45H71N3O6S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-34-54-45(52)42(38-30-25-22-26-31-38)48-43(50)40(36-55-35-37-28-23-21-24-29-37)47-41(49)33-32-39(46)44(51)53-4-2/h21-26,28-31,39-40,42H,3-20,27,32-36,46H2,1-2H3,(H,47,49)(H,48,50)