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

Systemtic Name: ethyl 3-[4-(aminomethyl)-3-(2-azanyl-3-phenyl-propanoyl)naphthalen-2-yl]carbonyl-1-prop-2-enyl-aziridine-2-carboxylate Openeye Name: ethyl 1-allyl-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]-1-prop-2-enyl-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(aminomethyl)-3-(2-amino-3-phenylpropanoyl)naphthalene-2-carbonyl]-1-prop-2-enylaziridine-2-carboxylate Traditional Name: 1-allyl-3-[4-(aminomethyl)-3-phenylalanyl-2-naphthoyl]ethylenimine-2-carboxylic acid ethyl ester Formula: C29H31N3O4 MolecularWeight: 485.57414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1CC=C)C(=O)C2=CC3=CC=CC=C3C(=C2C(=O)C(CC4=CC=CC=C4)N)CN

Isomeric SMILES

CCOC(=O)C1C(N1CC=C)C(=O)C2=CC3=CC=CC=C3C(=C2C(=O)C(CC4=CC=CC=C4)N)CN

InChI

InChI=1S/C29H31N3O4/c1-3-14-32-25(26(32)29(35)36-4-2)27(33)21-16-19-12-8-9-13-20(19)22(17-30)24(21)28(34)23(31)15-18-10-6-5-7-11-18/h3,5-13,16,23,25-26H,1,4,14-15,17,30-31H2,2H3