ethyl 3-[1-azanyl-2-(2-azanyl-3-phenyl-propanoyl)piperidin-2-yl]carbonylaziridine-2-carboxylate

Systemtic Name: ethyl 3-[1-azanyl-2-(2-azanyl-3-phenyl-propanoyl)piperidin-2-yl]carbonylaziridine-2-carboxylate Openeye Name: ethyl 3-[1-amino-2-(2-amino-3-phenyl-propanoyl)piperidine-2-carbonyl]aziridine-2-carboxylate CAS Name: 3-[[1-amino-2-(2-amino-1-oxo-3-phenylpropyl)-2-piperidinyl]-oxomethyl]-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[1-amino-2-(2-amino-3-phenylpropanoyl)piperidine-2-carbonyl]aziridine-2-carboxylate Traditional Name: 3-(1-amino-2-phenylalanyl-pipecoloyl)ethylenimine-2-carboxylic acid ethyl ester Formula: C20H28N4O4 MolecularWeight: 388.46072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1)C(=O)C2(CCCCN2N)C(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C1C(N1)C(=O)C2(CCCCN2N)C(=O)C(CC3=CC=CC=C3)N

InChI

InChI=1S/C20H28N4O4/c1-2-28-19(27)16-15(23-16)18(26)20(10-6-7-11-24(20)22)17(25)14(21)12-13-8-4-3-5-9-13/h3-5,8-9,14-16,23H,2,6-7,10-12,21-22H2,1H3