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

Systemtic Name: ethyl 2-azanyl-5-[[1-[(2-ethoxy-2-oxidanylidene-1-phenyl-ethyl)amino]-3-hexylsulfanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: ethyl 2-amino-5-[[2-[(2-ethoxy-2-oxo-1-phenyl-ethyl)amino]-1-(hexylsulfanylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoate CAS Name: 2-amino-5-[[1-[(2-ethoxy-2-oxo-1-phenylethyl)amino]-3-(hexylthio)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid ethyl ester IUPAC Name: ethyl 2-amino-5-[[1-[(2-ethoxy-2-oxo-1-phenylethyl)amino]-3-hexylsulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoate Traditional Name: 2-amino-5-[[2-[(2-ethoxy-2-keto-1-phenyl-ethyl)amino]-1-[(hexylthio)methyl]-2-keto-ethyl]amino]-5-keto-valeric acid ethyl ester Formula: C26H41N3O6S MolecularWeight: 523.68524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSCC(C(=O)NC(C1=CC=CC=C1)C(=O)OCC)NC(=O)CCC(C(=O)OCC)N

Isomeric SMILES

CCCCCCSCC(C(=O)NC(C1=CC=CC=C1)C(=O)OCC)NC(=O)CCC(C(=O)OCC)N

InChI

InChI=1S/C26H41N3O6S/c1-4-7-8-12-17-36-18-21(28-22(30)16-15-20(27)25(32)34-5-2)24(31)29-23(26(33)35-6-3)19-13-10-9-11-14-19/h9-11,13-14,20-21,23H,4-8,12,15-18,27H2,1-3H3,(H,28,30)(H,29,31)