tert-butyl N-[1-[2-azanyl-1-(4-methylpentyl)-2-(4-phenylbutylcarbamoyl)pyrrolidin-3-yl]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[2-azanyl-1-(4-methylpentyl)-2-(4-phenylbutylcarbamoyl)pyrrolidin-3-yl]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[2-[2-amino-1-isohexyl-2-(4-phenylbutylcarbamoyl)pyrrolidin-3-yl]-1-(cyclohexylmethyl)-2-oxo-ethyl]carbamate CAS Name: N-[1-[2-amino-1-(4-methylpentyl)-2-[oxo-(4-phenylbutylamino)methyl]-3-pyrrolidinyl]-3-cyclohexyl-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[2-amino-1-(4-methylpentyl)-2-(4-phenylbutylcarbamoyl)pyrrolidin-3-yl]-3-cyclohexyl-1-oxopropan-2-yl]carbamate Traditional Name: N-[2-[2-amino-1-isohexyl-2-(4-phenylbutylcarbamoyl)pyrrolidin-3-yl]-1-(cyclohexylmethyl)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C35H58N4O4 MolecularWeight: 598.85942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCN1CCC(C1(C(=O)NCCCCC2=CC=CC=C2)N)C(=O)C(CC3CCCCC3)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CCCN1CCC(C1(C(=O)NCCCCC2=CC=CC=C2)N)C(=O)C(CC3CCCCC3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C35H58N4O4/c1-26(2)15-14-23-39-24-21-29(35(39,36)32(41)37-22-13-12-18-27-16-8-6-9-17-27)31(40)30(25-28-19-10-7-11-20-28)38-33(42)43-34(3,4)5/h6,8-9,16-17,26,28-30H,7,10-15,18-25,36H2,1-5H3,(H,37,41)(H,38,42)