ethyl 3-[[1-azanyl-2-(2-azanyl-3-phenyl-propanoyl)-2-adamantyl]carbonyl]aziridine-2-carboxylate

Systemtic Name: ethyl 3-[[1-azanyl-2-(2-azanyl-3-phenyl-propanoyl)-2-adamantyl]carbonyl]aziridine-2-carboxylate Openeye Name: ethyl 3-[1-amino-2-(2-amino-3-phenyl-propanoyl)adamantane-2-carbonyl]aziridine-2-carboxylate CAS Name: 3-[[1-amino-2-(2-amino-1-oxo-3-phenylpropyl)-2-adamantyl]-oxomethyl]-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[1-amino-2-(2-amino-3-phenylpropanoyl)adamantane-2-carbonyl]aziridine-2-carboxylate Traditional Name: 3-(1-amino-2-phenylalanyl-adamantane-2-carbonyl)ethylenimine-2-carboxylic acid ethyl ester Formula: C25H33N3O4 MolecularWeight: 439.54722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1)C(=O)C2(C3CC4CC(C3)CC2(C4)N)C(=O)C(CC5=CC=CC=C5)N

Isomeric SMILES

CCOC(=O)C1C(N1)C(=O)C2(C3CC4CC(C3)CC2(C4)N)C(=O)C(CC5=CC=CC=C5)N

InChI

InChI=1S/C25H33N3O4/c1-2-32-23(31)20-19(28-20)22(30)25(21(29)18(26)11-14-6-4-3-5-7-14)17-9-15-8-16(10-17)13-24(25,27)12-15/h3-7,15-20,28H,2,8-13,26-27H2,1H3