3-[[4-methyl-1-oxidanylidene-1-(5-oxidanylpentylamino)pentan-2-yl]carbamoyl]oxirane-2-carboxylic acid dihydrate

Systemtic Name: 3-[[4-methyl-1-oxidanylidene-1-(5-oxidanylpentylamino)pentan-2-yl]carbamoyl]oxirane-2-carboxylic acid dihydrate Openeye Name: 3-[[1-(5-hydroxypentylcarbamoyl)-3-methyl-butyl]carbamoyl]oxirane-2-carboxylic acid dihydrate CAS Name: 3-[[[1-(5-hydroxypentylamino)-4-methyl-1-oxopentan-2-yl]amino]-oxomethyl]-2-oxiranecarboxylic acid dihydrate IUPAC Name: 3-[[1-(5-hydroxypentylamino)-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acid dihydrate Traditional Name: 3-[[1-(5-hydroxypentylcarbamoyl)-3-methyl-butyl]carbamoyl]oxirane-2-carboxylic acid dihydrate Formula: C15H30N2O8 MolecularWeight: 366.4073

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCCCCCO)NC(=O)C1C(O1)C(=O)O.O.O

Isomeric SMILES

CC(C)CC(C(=O)NCCCCCO)NC(=O)C1C(O1)C(=O)O.O.O

InChI

InChI=1S/C15H26N2O6.2H2O/c1-9(2)8-10(13(19)16-6-4-3-5-7-18)17-14(20)11-12(23-11)15(21)22;;/h9-12,18H,3-8H2,1-2H3,(H,16,19)(H,17,20)(H,21,22);2*1H2