2-azanyl-6-[[(4S)-4,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]heptanedioic acid

Systemtic Name: 2-azanyl-6-[[(4S)-4,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]heptanedioic acid Openeye Name: 2-amino-6-[[(4S)-4,5-diamino-5-oxo-pentanoyl]amino]heptanedioic acid CAS Name: 2-amino-6-[[(4S)-4,5-diamino-1,5-dioxopentyl]amino]heptanedioic acid IUPAC Name: 2-amino-6-[[(4S)-4,5-diamino-5-oxopentanoyl]amino]heptanedioic acid Traditional Name: 2-amino-6-[[(4S)-4,5-diamino-5-keto-pentanoyl]amino]pimelic acid Formula: C12H22N4O6 MolecularWeight: 318.32628

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(C(=O)O)N)CC(C(=O)O)NC(=O)CCC(C(=O)N)N

Isomeric SMILES

C(CC(C(=O)O)N)CC(C(=O)O)NC(=O)CC[C@@H](C(=O)N)N

InChI

InChI=1S/C12H22N4O6/c13-6(10(15)18)4-5-9(17)16-8(12(21)22)3-1-2-7(14)11(19)20/h6-8H,1-5,13-14H2,(H2,15,18)(H,16,17)(H,19,20)(H,21,22)/t6-,7?,8?/m0/s1