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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCN1CCC(C1(C(=O)NCCCCC2=CC=CC=C2)N)C(=O)CC(C3CCCCC3)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CCCN1CCC(C1(C(=O)NCCCCC2=CC=CC=C2)N)C(=O)CC(C3CCCCC3)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)25-30(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)