(2S,3S)-3-[[(2S)-1-(7-azanylheptylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]oxirane-2-carboxylic acid

Systemtic Name: (2S,3S)-3-[[(2S)-1-(7-azanylheptylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]oxirane-2-carboxylic acid Openeye Name: (2S,3S)-3-[[(1S)-1-(7-aminoheptylcarbamoyl)-3-methyl-butyl]carbamoyl]oxirane-2-carboxylic acid CAS Name: (2S,3S)-3-[[[(2S)-1-(7-aminoheptylamino)-4-methyl-1-oxopentan-2-yl]amino]-oxomethyl]-2-oxiranecarboxylic acid IUPAC Name: (2S,3S)-3-[[(2S)-1-(7-aminoheptylamino)-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acid Traditional Name: (2S,3S)-3-[[(1S)-1-(7-aminoheptylcarbamoyl)-3-methyl-butyl]carbamoyl]oxirane-2-carboxylic acid Formula: C17H31N3O5 MolecularWeight: 357.44514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCCCCCCCN)NC(=O)C1C(O1)C(=O)O

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCCCCCCCN)NC(=O)[C@@H]1[C@H](O1)C(=O)O

InChI

InChI=1S/C17H31N3O5/c1-11(2)10-12(20-16(22)13-14(25-13)17(23)24)15(21)19-9-7-5-3-4-6-8-18/h11-14H,3-10,18H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)/t12-,13-,14-/m0/s1