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

Systemtic Name: ethyl 3-[(2-azanyl-3-phenyl-propanoyl)-(3-propan-2-yloxypropyl)carbamoyl]aziridine-2-carboxylate Openeye Name: ethyl 3-[(2-amino-3-phenyl-propanoyl)-(3-isopropoxypropyl)carbamoyl]aziridine-2-carboxylate CAS Name: 3-[[(2-amino-1-oxo-3-phenylpropyl)-(3-propan-2-yloxypropyl)amino]-oxomethyl]-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-amino-3-phenylpropanoyl)-(3-propan-2-yloxypropyl)carbamoyl]aziridine-2-carboxylate Traditional Name: 3-[3-isopropoxypropyl(phenylalanyl)carbamoyl]ethylenimine-2-carboxylic acid ethyl ester Formula: C21H31N3O5 MolecularWeight: 405.48794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O5/c1-4-28-21(27)18-17(23-18)20(26)24(11-8-12-29-14(2)3)19(25)16(22)13-15-9-6-5-7-10-15/h5-7,9-10,14,16-18,23H,4,8,11-13,22H2,1-3H3