tert-butyl 2-[[2-(ethanoylsulfanylmethyl)-5-[(4-methoxyphenyl)methoxycarbonylamino]pentanoyl]amino]-3-phenyl-propanoate

Systemtic Name: tert-butyl 2-[[2-(ethanoylsulfanylmethyl)-5-[(4-methoxyphenyl)methoxycarbonylamino]pentanoyl]amino]-3-phenyl-propanoate Openeye Name: tert-butyl 2-[[2-(acetylsulfanylmethyl)-5-[(4-methoxyphenyl)methoxycarbonylamino]pentanoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-[(acetylthio)methyl]-5-[[(4-methoxyphenyl)methoxy-oxomethyl]amino]-1-oxopentyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-(acetylsulfanylmethyl)-5-[(4-methoxyphenyl)methoxycarbonylamino]pentanoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-[(acetylthio)methyl]-5-(p-anisyloxycarbonylamino)pentanoyl]amino]-3-phenyl-propionic acid tert-butyl ester Formula: C30H40N2O7S MolecularWeight: 572.7128

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CCCNC(=O)OCC1=CC=C(C=C1)OC)C(=O)NC(CC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)SCC(CCCNC(=O)OCC1=CC=C(C=C1)OC)C(=O)NC(CC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C30H40N2O7S/c1-21(33)40-20-24(12-9-17-31-29(36)38-19-23-13-15-25(37-5)16-14-23)27(34)32-26(28(35)39-30(2,3)4)18-22-10-7-6-8-11-22/h6-8,10-11,13-16,24,26H,9,12,17-20H2,1-5H3,(H,31,36)(H,32,34)