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

Systemtic Name: ethyl 2-acetamido-5-[[1-[(2-hexadecoxy-2-oxidanylidene-1-phenyl-ethyl)amino]-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: ethyl 2-acetamido-5-[[1-(benzylsulfanylmethyl)-2-[(2-hexadecoxy-2-oxo-1-phenyl-ethyl)amino]-2-oxo-ethyl]amino]-5-oxo-pentanoate CAS Name: 2-acetamido-5-[[1-[(2-hexadecoxy-2-oxo-1-phenylethyl)amino]-1-oxo-3-(phenylmethylthio)propan-2-yl]amino]-5-oxopentanoic acid ethyl ester IUPAC Name: ethyl 2-acetamido-5-[[3-benzylsulfanyl-1-[(2-hexadecoxy-2-oxo-1-phenylethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate Traditional Name: 2-acetamido-5-[[1-[(benzylthio)methyl]-2-[(2-cetyloxy-2-keto-1-phenyl-ethyl)amino]-2-keto-ethyl]amino]-5-keto-valeric acid ethyl ester Formula: C43H65N3O7S MolecularWeight: 768.0571

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H65N3O7S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-24-31-53-43(51)40(36-27-22-19-23-28-36)46-41(49)38(33-54-32-35-25-20-18-21-26-35)45-39(48)30-29-37(44-34(3)47)42(50)52-5-2/h18-23,25-28,37-38,40H,4-17,24,29-33H2,1-3H3,(H,44,47)(H,45,48)(H,46,49)