(2S)-2,7-bis(azanyl)-7-azanylidene-heptanoic acid hydrate hydrochloride

Systemtic Name: (2S)-2,7-bis(azanyl)-7-azanylidene-heptanoic acid hydrate hydrochloride Openeye Name: (2S)-2,7-diamino-7-imino-heptanoic acid hydrate hydrochloride CAS Name: (2S)-2,7-diamino-7-iminoheptanoic acid hydrate hydrochloride IUPAC Name: (2S)-2,7-diamino-7-iminoheptanoic acid hydrate hydrochloride Traditional Name: (2S)-2,7-diamino-7-imino-enanthic acid hydrate hydrochloride Formula: C7H18ClN3O3 MolecularWeight: 227.68912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CCC(=N)N)CC(C(=O)O)N.O.Cl

Isomeric SMILES

C(CCC(=N)N)C[C@@H](C(=O)O)N.O.Cl

InChI

InChI=1S/C7H15N3O2.ClH.H2O/c8-5(7(11)12)3-1-2-4-6(9)10;;/h5H,1-4,8H2,(H3,9,10)(H,11,12);1H;1H2/t5-;;/m0../s1