(4S)-4-[[(2S)-2-azanylhexanoyl]amino]-5-(carboxymethylamino)-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2S)-2-azanylhexanoyl]amino]-5-(carboxymethylamino)-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-2-aminohexanoyl]amino]-5-(carboxymethylamino)-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-2-amino-1-oxohexyl]amino]-5-(carboxymethylamino)-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-2-aminohexanoyl]amino]-5-(carboxymethylamino)-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-2-aminohexanoyl]amino]-5-(carboxymethylamino)-5-keto-valeric acid Formula: C13H23N3O6 MolecularWeight: 317.33822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(CCC(=O)O)C(=O)NCC(=O)O)N

Isomeric SMILES

CCCC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O)N

InChI

InChI=1S/C13H23N3O6/c1-2-3-4-8(14)12(21)16-9(5-6-10(17)18)13(22)15-7-11(19)20/h8-9H,2-7,14H2,1H3,(H,15,22)(H,16,21)(H,17,18)(H,19,20)/t8-,9-/m0/s1