ethyl 3-[4-(aminomethyl)-3-(2-azanyl-3-phenyl-propanoyl)naphthalen-2-yl]carbonylaziridine-2-carboxylate

Systemtic Name: ethyl 3-[4-(aminomethyl)-3-(2-azanyl-3-phenyl-propanoyl)naphthalen-2-yl]carbonylaziridine-2-carboxylate Openeye Name: ethyl 3-[4-(aminomethyl)-3-(2-amino-3-phenyl-propanoyl)naphthalene-2-carbonyl]aziridine-2-carboxylate CAS Name: 3-[[4-(aminomethyl)-3-(2-amino-1-oxo-3-phenylpropyl)-2-naphthalenyl]-oxomethyl]-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(aminomethyl)-3-(2-amino-3-phenylpropanoyl)naphthalene-2-carbonyl]aziridine-2-carboxylate Traditional Name: 3-[4-(aminomethyl)-3-phenylalanyl-2-naphthoyl]ethylenimine-2-carboxylic acid ethyl ester Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1)C(=O)C2=CC3=CC=CC=C3C(=C2C(=O)C(CC4=CC=CC=C4)N)CN

Isomeric SMILES

CCOC(=O)C1C(N1)C(=O)C2=CC3=CC=CC=C3C(=C2C(=O)C(CC4=CC=CC=C4)N)CN

InChI

InChI=1S/C26H27N3O4/c1-2-33-26(32)23-22(29-23)24(30)18-13-16-10-6-7-11-17(16)19(14-27)21(18)25(31)20(28)12-15-8-4-3-5-9-15/h3-11,13,20,22-23,29H,2,12,14,27-28H2,1H3