methyl 5-(2,2-dimethylpropoxysulfonyl)-2-[(4-methoxyphenyl)methylsulfanyl]-3-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: methyl 5-(2,2-dimethylpropoxysulfonyl)-2-[(4-methoxyphenyl)methylsulfanyl]-3-(phenylmethoxycarbonylamino)pentanoate Openeye Name: methyl 3-(benzyloxycarbonylamino)-5-(2,2-dimethylpropoxysulfonyl)-2-[(4-methoxyphenyl)methylsulfanyl]pentanoate CAS Name: 5-(2,2-dimethylpropoxysulfonyl)-2-[(4-methoxyphenyl)methylthio]-3-(phenylmethoxycarbonylamino)pentanoic acid methyl ester IUPAC Name: methyl 5-(2,2-dimethylpropoxysulfonyl)-2-[(4-methoxyphenyl)methylsulfanyl]-3-(phenylmethoxycarbonylamino)pentanoate Traditional Name: 3-(benzyloxycarbonylamino)-5-neopentyloxysulfonyl-2-(p-anisylthio)valeric acid methyl ester Formula: C27H37NO8S2 MolecularWeight: 567.71458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COS(=O)(=O)CCC(C(C(=O)OC)SCC1=CC=C(C=C1)OC)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)COS(=O)(=O)CCC(C(C(=O)OC)SCC1=CC=C(C=C1)OC)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C27H37NO8S2/c1-27(2,3)19-36-38(31,32)16-15-23(28-26(30)35-17-20-9-7-6-8-10-20)24(25(29)34-5)37-18-21-11-13-22(33-4)14-12-21/h6-14,23-24H,15-19H2,1-5H3,(H,28,30)