methyl 2-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-1-(3-phenylpropyl)pyrrolidine-2-carboxylate

Systemtic Name: methyl 2-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-1-(3-phenylpropyl)pyrrolidine-2-carboxylate Openeye Name: methyl 2-[(2,4-diamino-4-oxo-butanoyl)amino]-1-(3-phenylpropyl)pyrrolidine-2-carboxylate CAS Name: 2-[(2,4-diamino-1,4-dioxobutyl)amino]-1-(3-phenylpropyl)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2,4-diamino-4-oxobutanoyl)amino]-1-(3-phenylpropyl)pyrrolidine-2-carboxylate Traditional Name: 2-[(2,4-diamino-4-keto-butanoyl)amino]-1-(3-phenylpropyl)pyrrolidine-2-carboxylic acid methyl ester Formula: C19H28N4O4 MolecularWeight: 376.45002

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCN1CCCC2=CC=CC=C2)NC(=O)C(CC(=O)N)N

Isomeric SMILES

COC(=O)C1(CCCN1CCCC2=CC=CC=C2)NC(=O)C(CC(=O)N)N

InChI

InChI=1S/C19H28N4O4/c1-27-18(26)19(22-17(25)15(20)13-16(21)24)10-6-12-23(19)11-5-9-14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-13,20H2,1H3,(H2,21,24)(H,22,25)