tert-butyl N-[[4-[3-(2-aminocarbonyl-4-azanyl-pyrrolidin-1-yl)-3-oxidanylidene-propyl]phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-[3-(2-aminocarbonyl-4-azanyl-pyrrolidin-1-yl)-3-oxidanylidene-propyl]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[3-(4-amino-2-carbamoyl-pyrrolidin-1-yl)-3-oxo-propyl]phenyl]methyl]carbamate CAS Name: N-[[4-[3-(4-amino-2-carbamoyl-1-pyrrolidinyl)-3-oxopropyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[3-(4-amino-2-carbamoylpyrrolidin-1-yl)-3-oxopropyl]phenyl]methyl]carbamate Traditional Name: N-[4-[3-(4-amino-2-carbamoyl-pyrrolidino)-3-keto-propyl]benzyl]carbamic acid tert-butyl ester Formula: C20H30N4O4 MolecularWeight: 390.4766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)CCC(=O)N2CC(CC2C(=O)N)N

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)CCC(=O)N2CC(CC2C(=O)N)N

InChI

InChI=1S/C20H30N4O4/c1-20(2,3)28-19(27)23-11-14-6-4-13(5-7-14)8-9-17(25)24-12-15(21)10-16(24)18(22)26/h4-7,15-16H,8-12,21H2,1-3H3,(H2,22,26)(H,23,27)