sodium 3-[[4-methyl-1-(3-methylbutylamino)-1-oxidanylidene-pentan-2-yl]carbamoyl]aziridine-2-carboxylic acid

Systemtic Name: sodium 3-[[4-methyl-1-(3-methylbutylamino)-1-oxidanylidene-pentan-2-yl]carbamoyl]aziridine-2-carboxylic acid Openeye Name: sodium 3-[[1-(isopentylcarbamoyl)-3-methyl-butyl]carbamoyl]aziridine-2-carboxylic acid CAS Name: sodium 3-[[[4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]amino]-oxomethyl]-2-aziridinecarboxylic acid IUPAC Name: sodium 3-[[4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamoyl]aziridine-2-carboxylic acid Traditional Name: sodium 3-[[1-(isoamylcarbamoyl)-3-methyl-butyl]carbamoyl]ethylenimine-2-carboxylic acid Formula: C15H27N3NaO4+ MolecularWeight: 336.38235

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C(CC(C)C)NC(=O)C1C(N1)C(=O)O.[Na+]

Isomeric SMILES

CC(C)CCNC(=O)C(CC(C)C)NC(=O)C1C(N1)C(=O)O.[Na+]

InChI

InChI=1S/C15H27N3O4.Na/c1-8(2)5-6-16-13(19)10(7-9(3)4)17-14(20)11-12(18-11)15(21)22;/h8-12,18H,5-7H2,1-4H3,(H,16,19)(H,17,20)(H,21,22);/q;+1