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

Systemtic Name: ethyl 3-[1-azanyl-2-(2-azanyl-3-phenyl-propanoyl)pyrrol-3-yl]carbonylaziridine-2-carboxylate Openeye Name: ethyl 3-[1-amino-2-(2-amino-3-phenyl-propanoyl)pyrrole-3-carbonyl]aziridine-2-carboxylate CAS Name: 3-[[1-amino-2-(2-amino-1-oxo-3-phenylpropyl)-3-pyrrolyl]-oxomethyl]-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[1-amino-2-(2-amino-3-phenylpropanoyl)pyrrole-3-carbonyl]aziridine-2-carboxylate Traditional Name: 3-(1-amino-2-phenylalanyl-pyrrole-3-carbonyl)ethylenimine-2-carboxylic acid ethyl ester Formula: C19H22N4O4 MolecularWeight: 370.40238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O4/c1-2-27-19(26)15-14(22-15)17(24)12-8-9-23(21)16(12)18(25)13(20)10-11-6-4-3-5-7-11/h3-9,13-15,22H,2,10,20-21H2,1H3