ethyl 3-[(2-azanyl-3-phenyl-propanoyl)-(3-methylbutyl)carbamoyl]aziridine-2-carboxylate

Systemtic Name: ethyl 3-[(2-azanyl-3-phenyl-propanoyl)-(3-methylbutyl)carbamoyl]aziridine-2-carboxylate Openeye Name: ethyl 3-[(2-amino-3-phenyl-propanoyl)-isopentyl-carbamoyl]aziridine-2-carboxylate CAS Name: 3-[[(2-amino-1-oxo-3-phenylpropyl)-(3-methylbutyl)amino]-oxomethyl]-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-amino-3-phenylpropanoyl)-(3-methylbutyl)carbamoyl]aziridine-2-carboxylate Traditional Name: 3-[isoamyl(phenylalanyl)carbamoyl]ethylenimine-2-carboxylic acid ethyl ester Formula: C20H29N3O4 MolecularWeight: 375.46196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1)C(=O)N(CCC(C)C)C(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

CCOC(=O)C1C(N1)C(=O)N(CCC(C)C)C(=O)C(CC2=CC=CC=C2)N

InChI

InChI=1S/C20H29N3O4/c1-4-27-20(26)17-16(22-17)19(25)23(11-10-13(2)3)18(24)15(21)12-14-8-6-5-7-9-14/h5-9,13,15-17,22H,4,10-12,21H2,1-3H3