tert-butyl 5-azanyl-2-[[2-(ethanoylsulfanylmethyl)-5-[(4-methoxyphenyl)methoxycarbonylamino]pentanoyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: tert-butyl 5-azanyl-2-[[2-(ethanoylsulfanylmethyl)-5-[(4-methoxyphenyl)methoxycarbonylamino]pentanoyl]amino]-5-oxidanylidene-pentanoate Openeye Name: tert-butyl 2-[[2-(acetylsulfanylmethyl)-5-[(4-methoxyphenyl)methoxycarbonylamino]pentanoyl]amino]-5-amino-5-oxo-pentanoate CAS Name: 2-[[2-[(acetylthio)methyl]-5-[[(4-methoxyphenyl)methoxy-oxomethyl]amino]-1-oxopentyl]amino]-5-amino-5-oxopentanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-(acetylsulfanylmethyl)-5-[(4-methoxyphenyl)methoxycarbonylamino]pentanoyl]amino]-5-amino-5-oxopentanoate Traditional Name: 2-[[2-[(acetylthio)methyl]-5-(p-anisyloxycarbonylamino)pentanoyl]amino]-5-amino-5-keto-valeric acid tert-butyl ester Formula: C26H39N3O8S MolecularWeight: 553.66816

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CCCNC(=O)OCC1=CC=C(C=C1)OC)C(=O)NC(CCC(=O)N)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)SCC(CCCNC(=O)OCC1=CC=C(C=C1)OC)C(=O)NC(CCC(=O)N)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H39N3O8S/c1-17(30)38-16-19(23(32)29-21(12-13-22(27)31)24(33)37-26(2,3)4)7-6-14-28-25(34)36-15-18-8-10-20(35-5)11-9-18/h8-11,19,21H,6-7,12-16H2,1-5H3,(H2,27,31)(H,28,34)(H,29,32)