(2S)-2,6-bis(azanyl)hexanoic acid; 2-[3-chloranyl-4-(cyclopropylmethoxy)phenyl]propanoic acid

Systemtic Name: (2S)-2,6-bis(azanyl)hexanoic acid; 2-[3-chloranyl-4-(cyclopropylmethoxy)phenyl]propanoic acid Openeye Name: 2-[3-chloro-4-(cyclopropylmethoxy)phenyl]propanoic acid; (2S)-2,6-diaminohexanoic acid CAS Name: 2-[3-chloro-4-(cyclopropylmethoxy)phenyl]propanoic acid; (2S)-2,6-diaminohexanoic acid IUPAC Name: 2-[3-chloro-4-(cyclopropylmethoxy)phenyl]propanoic acid; (2S)-2,6-diaminohexanoic acid Traditional Name: 2-[3-chloro-4-(cyclopropylmethoxy)phenyl]propionic acid; (2S)-2,6-diaminohexanoic acid Formula: C19H29ClN2O5 MolecularWeight: 400.89696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OCC2CC2)Cl)C(=O)O.C(CCN)CC(C(=O)O)N

Isomeric SMILES

CC(C1=CC(=C(C=C1)OCC2CC2)Cl)C(=O)O.C(CCN)C[C@@H](C(=O)O)N

InChI

InChI=1S/C13H15ClO3.C6H14N2O2/c1-8(13(15)16)10-4-5-12(11(14)6-10)17-7-9-2-3-9;7-4-2-1-3-5(8)6(9)10/h4-6,8-9H,2-3,7H2,1H3,(H,15,16);5H,1-4,7-8H2,(H,9,10)/t;5-/m.0/s1