2,2-dimethylpropanoyloxymethyl 3-[(2-azanyl-3-phenyl-propanoyl)-phenethyl-carbamoyl]aziridine-2-carboxylate

Systemtic Name: 2,2-dimethylpropanoyloxymethyl 3-[(2-azanyl-3-phenyl-propanoyl)-phenethyl-carbamoyl]aziridine-2-carboxylate Openeye Name: 2,2-dimethylpropanoyloxymethyl 3-[(2-amino-3-phenyl-propanoyl)-phenethyl-carbamoyl]aziridine-2-carboxylate CAS Name: 3-[[(2-amino-1-oxo-3-phenylpropyl)-phenethylamino]-oxomethyl]-2-aziridinecarboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester IUPAC Name: 2,2-dimethylpropanoyloxymethyl 3-[(2-amino-3-phenylpropanoyl)-phenethylcarbamoyl]aziridine-2-carboxylate Traditional Name: 3-[phenethyl(phenylalanyl)carbamoyl]ethylenimine-2-carboxylic acid pivaloyloxymethyl ester Formula: C27H33N3O6 MolecularWeight: 495.56742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCOC(=O)C1C(N1)C(=O)N(CCC2=CC=CC=C2)C(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CC(C)(C)C(=O)OCOC(=O)C1C(N1)C(=O)N(CCC2=CC=CC=C2)C(=O)C(CC3=CC=CC=C3)N

InChI

InChI=1S/C27H33N3O6/c1-27(2,3)26(34)36-17-35-25(33)22-21(29-22)24(32)30(15-14-18-10-6-4-7-11-18)23(31)20(28)16-19-12-8-5-9-13-19/h4-13,20-22,29H,14-17,28H2,1-3H3