ethyl 3-[4-(aminomethyl)-3-(2-azanyl-3-phenyl-propanoyl)naphthalen-2-yl]carbonyl-1-(phenylmethyl)aziridine-2-carboxylate

Systemtic Name: ethyl 3-[4-(aminomethyl)-3-(2-azanyl-3-phenyl-propanoyl)naphthalen-2-yl]carbonyl-1-(phenylmethyl)aziridine-2-carboxylate Openeye Name: ethyl 3-[4-(aminomethyl)-3-(2-amino-3-phenyl-propanoyl)naphthalene-2-carbonyl]-1-benzyl-aziridine-2-carboxylate CAS Name: 3-[[4-(aminomethyl)-3-(2-amino-1-oxo-3-phenylpropyl)-2-naphthalenyl]-oxomethyl]-1-(phenylmethyl)-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(aminomethyl)-3-(2-amino-3-phenylpropanoyl)naphthalene-2-carbonyl]-1-benzylaziridine-2-carboxylate Traditional Name: 3-[4-(aminomethyl)-3-phenylalanyl-2-naphthoyl]-1-benzyl-ethylenimine-2-carboxylic acid ethyl ester Formula: C33H33N3O4 MolecularWeight: 535.63282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1CC2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4C(=C3C(=O)C(CC5=CC=CC=C5)N)CN

Isomeric SMILES

CCOC(=O)C1C(N1CC2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4C(=C3C(=O)C(CC5=CC=CC=C5)N)CN

InChI

InChI=1S/C33H33N3O4/c1-2-40-33(39)30-29(36(30)20-22-13-7-4-8-14-22)31(37)25-18-23-15-9-10-16-24(23)26(19-34)28(25)32(38)27(35)17-21-11-5-3-6-12-21/h3-16,18,27,29-30H,2,17,19-20,34-35H2,1H3