tert-butyl 3-[azanyl-[(4-methoxyphenyl)methyl]amino]-2-(cyclopentylmethylsulfonylmethyl)-3-oxidanylidene-propanoate

Systemtic Name: tert-butyl 3-[azanyl-[(4-methoxyphenyl)methyl]amino]-2-(cyclopentylmethylsulfonylmethyl)-3-oxidanylidene-propanoate Openeye Name: tert-butyl 3-[amino-[(4-methoxyphenyl)methyl]amino]-2-(cyclopentylmethylsulfonylmethyl)-3-oxo-propanoate CAS Name: 3-[amino-[(4-methoxyphenyl)methyl]amino]-2-(cyclopentylmethylsulfonylmethyl)-3-oxopropanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[amino-[(4-methoxyphenyl)methyl]amino]-2-(cyclopentylmethylsulfonylmethyl)-3-oxopropanoate Traditional Name: 3-[amino(p-anisyl)amino]-2-(cyclopentylmethylsulfonylmethyl)-3-keto-propionic acid tert-butyl ester Formula: C22H34N2O6S MolecularWeight: 454.58016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CS(=O)(=O)CC1CCCC1)C(=O)N(CC2=CC=C(C=C2)OC)N

Isomeric SMILES

CC(C)(C)OC(=O)C(CS(=O)(=O)CC1CCCC1)C(=O)N(CC2=CC=C(C=C2)OC)N

InChI

InChI=1S/C22H34N2O6S/c1-22(2,3)30-21(26)19(15-31(27,28)14-17-7-5-6-8-17)20(25)24(23)13-16-9-11-18(29-4)12-10-16/h9-12,17,19H,5-8,13-15,23H2,1-4H3