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

Systemtic Name: ethyl 3-[(2-azanyl-3-phenyl-propanoyl)-(2-thiophen-2-ylethyl)carbamoyl]aziridine-2-carboxylate Openeye Name: ethyl 3-[(2-amino-3-phenyl-propanoyl)-[2-(2-thienyl)ethyl]carbamoyl]aziridine-2-carboxylate CAS Name: 3-[[(2-amino-1-oxo-3-phenylpropyl)-(2-thiophen-2-ylethyl)amino]-oxomethyl]-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-amino-3-phenylpropanoyl)-(2-thiophen-2-ylethyl)carbamoyl]aziridine-2-carboxylate Traditional Name: 3-[phenylalanyl-[2-(2-thienyl)ethyl]carbamoyl]ethylenimine-2-carboxylic acid ethyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1)C(=O)N(CCC2=CC=CS2)C(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C1C(N1)C(=O)N(CCC2=CC=CS2)C(=O)C(CC3=CC=CC=C3)N

InChI

InChI=1S/C21H25N3O4S/c1-2-28-21(27)18-17(23-18)20(26)24(11-10-15-9-6-12-29-15)19(25)16(22)13-14-7-4-3-5-8-14/h3-9,12,16-18,23H,2,10-11,13,22H2,1H3