3-[[1-(hexanoylamino)-4-methyl-pentan-2-yl]carbamoyl]oxirane-2-carboxylic acid

Systemtic Name: 3-[[1-(hexanoylamino)-4-methyl-pentan-2-yl]carbamoyl]oxirane-2-carboxylic acid Openeye Name: 3-[[1-[(hexanoylamino)methyl]-3-methyl-butyl]carbamoyl]oxirane-2-carboxylic acid CAS Name: 3-[[[4-methyl-1-(1-oxohexylamino)pentan-2-yl]amino]-oxomethyl]-2-oxiranecarboxylic acid IUPAC Name: 3-[[1-(hexanoylamino)-4-methylpentan-2-yl]carbamoyl]oxirane-2-carboxylic acid Traditional Name: 3-[[1-[(caproylamino)methyl]-3-methyl-butyl]carbamoyl]oxirane-2-carboxylic acid Formula: C16H28N2O5 MolecularWeight: 328.40392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NCC(CC(C)C)NC(=O)C1C(O1)C(=O)O

Isomeric SMILES

CCCCCC(=O)NCC(CC(C)C)NC(=O)C1C(O1)C(=O)O

InChI

InChI=1S/C16H28N2O5/c1-4-5-6-7-12(19)17-9-11(8-10(2)3)18-15(20)13-14(23-13)16(21)22/h10-11,13-14H,4-9H2,1-3H3,(H,17,19)(H,18,20)(H,21,22)