tert-butyl N-[2-[(2S)-2-[(4-azanylcyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-1-phenyl-ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[(2S)-2-[(4-azanylcyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-1-phenyl-ethyl]carbamate Openeye Name: tert-butyl N-[2-[(2S)-2-[(4-aminocyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenyl-ethyl]carbamate CAS Name: N-[2-[(2S)-2-[[(4-aminocyclohexyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-2-oxo-1-phenylethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[(2S)-2-[(4-aminocyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate Traditional Name: N-[2-[(2S)-2-[(4-aminocyclohexyl)methylcarbamoyl]pyrrolidino]-2-keto-1-phenyl-ethyl]carbamic acid tert-butyl ester Formula: C25H38N4O4 MolecularWeight: 458.59362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1=CC=CC=C1)C(=O)N2CCCC2C(=O)NCC3CCC(CC3)N

Isomeric SMILES

CC(C)(C)OC(=O)NC(C1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)NCC3CCC(CC3)N

InChI

InChI=1S/C25H38N4O4/c1-25(2,3)33-24(32)28-21(18-8-5-4-6-9-18)23(31)29-15-7-10-20(29)22(30)27-16-17-11-13-19(26)14-12-17/h4-6,8-9,17,19-21H,7,10-16,26H2,1-3H3,(H,27,30)(H,28,32)/t17?,19?,20-,21?/m0/s1