5-(aminomethyl)-2-azanyl-heptanedioic acid; 2-azanyl-3-sulfanyl-propanoic acid; hydrate

Systemtic Name: 5-(aminomethyl)-2-azanyl-heptanedioic acid; 2-azanyl-3-sulfanyl-propanoic acid; hydrate Openeye Name: 2-amino-5-(aminomethyl)heptanedioic acid; 2-amino-3-sulfanyl-propanoic acid; hydrate CAS Name: 2-amino-5-(aminomethyl)heptanedioic acid; 2-amino-3-mercaptopropanoic acid; hydrate IUPAC Name: 2-amino-5-(aminomethyl)heptanedioic acid; 2-amino-3-sulfanylpropanoic acid; hydrate Traditional Name: 2-amino-5-(aminomethyl)pimelic acid; 2-amino-3-mercapto-propionic acid; hydrate Formula: C11H25N3O7S MolecularWeight: 343.3971

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(C(=O)O)N)C(CC(=O)O)CN.C(C(C(=O)O)N)S.O

Isomeric SMILES

C(CC(C(=O)O)N)C(CC(=O)O)CN.C(C(C(=O)O)N)S.O

InChI

InChI=1S/C8H16N2O4.C3H7NO2S.H2O/c9-4-5(3-7(11)12)1-2-6(10)8(13)14;4-2(1-7)3(5)6;/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14);2,7H,1,4H2,(H,5,6);1H2