3-[3-methylbutyl-[4-(phenylmethyl)piperazin-1-yl]carbonyl-carbamoyl]oxirane-2-carboxylic acid

Systemtic Name: 3-[3-methylbutyl-[4-(phenylmethyl)piperazin-1-yl]carbonyl-carbamoyl]oxirane-2-carboxylic acid Openeye Name: 3-[(4-benzylpiperazine-1-carbonyl)-isopentyl-carbamoyl]oxirane-2-carboxylic acid CAS Name: 3-[[3-methylbutyl-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]amino]-oxomethyl]-2-oxiranecarboxylic acid IUPAC Name: 3-[(4-benzylpiperazine-1-carbonyl)-(3-methylbutyl)carbamoyl]oxirane-2-carboxylic acid Traditional Name: 3-[(4-benzylpiperazine-1-carbonyl)-isoamyl-carbamoyl]oxirane-2-carboxylic acid Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C(=O)C1C(O1)C(=O)O)C(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CCN(C(=O)C1C(O1)C(=O)O)C(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H29N3O5/c1-15(2)8-9-24(19(25)17-18(29-17)20(26)27)21(28)23-12-10-22(11-13-23)14-16-6-4-3-5-7-16/h3-7,15,17-18H,8-14H2,1-2H3,(H,26,27)