tert-butyl N-[4-[1,3-benzodioxol-5-ylsulfonyl-(3-methyl-6-oxidanylidene-hexyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[4-[1,3-benzodioxol-5-ylsulfonyl-(3-methyl-6-oxidanylidene-hexyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate Openeye Name: tert-butyl N-[3-[1,3-benzodioxol-5-ylsulfonyl-(3-methyl-6-oxo-hexyl)amino]-1-benzyl-2-hydroxy-propyl]carbamate CAS Name: N-[4-[1,3-benzodioxol-5-ylsulfonyl-(3-methyl-6-oxohexyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[1,3-benzodioxol-5-ylsulfonyl-(3-methyl-6-oxohexyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate Traditional Name: N-[3-[1,3-benzodioxol-5-ylsulfonyl-(6-keto-3-methyl-hexyl)amino]-1-benzyl-2-hydroxy-propyl]carbamic acid tert-butyl ester Formula: C29H40N2O8S MolecularWeight: 576.7015

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC=O)CCN(CC(C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O)S(=O)(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(CCC=O)CCN(CC(C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O)S(=O)(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C29H40N2O8S/c1-21(9-8-16-32)14-15-31(40(35,36)23-12-13-26-27(18-23)38-20-37-26)19-25(33)24(17-22-10-6-5-7-11-22)30-28(34)39-29(2,3)4/h5-7,10-13,16,18,21,24-25,33H,8-9,14-15,17,19-20H2,1-4H3,(H,30,34)