tert-butyl 3-[tert-butyl-[phenylsulfonyl-[4-(2-pyrrolidin-1-ylethoxy)phenyl]carbonyl-amino]amino]propanoate

Systemtic Name: tert-butyl 3-[tert-butyl-[phenylsulfonyl-[4-(2-pyrrolidin-1-ylethoxy)phenyl]carbonyl-amino]amino]propanoate Openeye Name: tert-butyl 3-[[benzenesulfonyl-[4-(2-pyrrolidin-1-ylethoxy)benzoyl]amino]-tert-butyl-amino]propanoate CAS Name: 3-[[benzenesulfonyl-[oxo-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methyl]amino]-tert-butylamino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[benzenesulfonyl-[4-(2-pyrrolidin-1-ylethoxy)benzoyl]amino]-tert-butylamino]propanoate Traditional Name: 3-[[besyl-[4-(2-pyrrolidinoethoxy)benzoyl]amino]-tert-butyl-amino]propionic acid tert-butyl ester Formula: C30H43N3O6S MolecularWeight: 573.74392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CCC(=O)OC(C)(C)C)N(C(=O)C1=CC=C(C=C1)OCCN2CCCC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)N(CCC(=O)OC(C)(C)C)N(C(=O)C1=CC=C(C=C1)OCCN2CCCC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C30H43N3O6S/c1-29(2,3)32(21-18-27(34)39-30(4,5)6)33(40(36,37)26-12-8-7-9-13-26)28(35)24-14-16-25(17-15-24)38-23-22-31-19-10-11-20-31/h7-9,12-17H,10-11,18-23H2,1-6H3