tert-butyl 4-[[1-(2-azanyl-3-phenyl-propanoyl)pyrrolidin-2-yl]carbonyl-methyl-amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[1-(2-azanyl-3-phenyl-propanoyl)pyrrolidin-2-yl]carbonyl-methyl-amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[1-(2-amino-3-phenyl-propanoyl)pyrrolidine-2-carbonyl]-methyl-amino]piperidine-1-carboxylate CAS Name: 4-[[[1-(2-amino-1-oxo-3-phenylpropyl)-2-pyrrolidinyl]-oxomethyl]-methylamino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[1-(2-amino-3-phenylpropanoyl)pyrrolidine-2-carbonyl]-methylamino]piperidine-1-carboxylate Traditional Name: 4-[methyl-(1-phenylalanylprolyl)amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H38N4O4 MolecularWeight: 458.59362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)N(C)C(=O)C2CCCN2C(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N(C)C(=O)C2CCCN2C(=O)C(CC3=CC=CC=C3)N

InChI

InChI=1S/C25H38N4O4/c1-25(2,3)33-24(32)28-15-12-19(13-16-28)27(4)23(31)21-11-8-14-29(21)22(30)20(26)17-18-9-6-5-7-10-18/h5-7,9-10,19-21H,8,11-17,26H2,1-4H3