2-azanyl-6-[2-(2-azanylethanoylamino)propanoylamino]-3-chloranyl-heptanedioic acid

Systemtic Name: 2-azanyl-6-[2-(2-azanylethanoylamino)propanoylamino]-3-chloranyl-heptanedioic acid Openeye Name: 2-amino-6-[2-[(2-aminoacetyl)amino]propanoylamino]-3-chloro-heptanedioic acid CAS Name: 2-amino-6-[[2-[(2-amino-1-oxoethyl)amino]-1-oxopropyl]amino]-3-chloroheptanedioic acid IUPAC Name: 2-amino-6-[2-[(2-aminoacetyl)amino]propanoylamino]-3-chloroheptanedioic acid Traditional Name: 2-amino-3-chloro-6-[2-(glycylamino)propanoylamino]pimelic acid Formula: C12H21ClN4O6 MolecularWeight: 352.77134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21ClN4O6/c1-5(16-8(18)4-14)10(19)17-7(11(20)21)3-2-6(13)9(15)12(22)23/h5-7,9H,2-4,14-15H2,1H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)