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

Systemtic Name: tert-butyl 2-[[2-(ethanoylsulfanylmethyl)-5-[(4-methoxyphenyl)methoxycarbonylamino]pentanoyl]amino]-4-methyl-pentanoate Openeye Name: tert-butyl 2-[[2-(acetylsulfanylmethyl)-5-[(4-methoxyphenyl)methoxycarbonylamino]pentanoyl]amino]-4-methyl-pentanoate CAS Name: 2-[[2-[(acetylthio)methyl]-5-[[(4-methoxyphenyl)methoxy-oxomethyl]amino]-1-oxopentyl]amino]-4-methylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-(acetylsulfanylmethyl)-5-[(4-methoxyphenyl)methoxycarbonylamino]pentanoyl]amino]-4-methylpentanoate Traditional Name: 2-[[2-[(acetylthio)methyl]-5-(p-anisyloxycarbonylamino)pentanoyl]amino]-4-methyl-valeric acid tert-butyl ester Formula: C27H42N2O7S MolecularWeight: 538.69658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC(C)(C)C)NC(=O)C(CCCNC(=O)OCC1=CC=C(C=C1)OC)CSC(=O)C

Isomeric SMILES

CC(C)CC(C(=O)OC(C)(C)C)NC(=O)C(CCCNC(=O)OCC1=CC=C(C=C1)OC)CSC(=O)C

InChI

InChI=1S/C27H42N2O7S/c1-18(2)15-23(25(32)36-27(4,5)6)29-24(31)21(17-37-19(3)30)9-8-14-28-26(33)35-16-20-10-12-22(34-7)13-11-20/h10-13,18,21,23H,8-9,14-17H2,1-7H3,(H,28,33)(H,29,31)