2-[(2-azanyl-3-sulfanyl-propanoyl)oxyamino]-3-phenyl-propanoic acid; 2,6-bis(azanyl)hexanoic acid

Systemtic Name: 2-[(2-azanyl-3-sulfanyl-propanoyl)oxyamino]-3-phenyl-propanoic acid; 2,6-bis(azanyl)hexanoic acid Openeye Name: 2-[(2-amino-3-sulfanyl-propanoyl)oxyamino]-3-phenyl-propanoic acid; 2,6-diaminohexanoic acid CAS Name: 2-[(2-amino-3-mercapto-1-oxopropoxy)amino]-3-phenylpropanoic acid; 2,6-diaminohexanoic acid IUPAC Name: 2-[(2-amino-3-sulfanylpropanoyl)oxyamino]-3-phenylpropanoic acid; 2,6-diaminohexanoic acid Traditional Name: 2-[(2-amino-3-mercapto-propanoyl)oxyamino]-3-phenyl-propionic acid; 2,6-diaminohexanoic acid Formula: C18H30N4O6S MolecularWeight: 430.519

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NOC(=O)C(CS)N.C(CCN)CC(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NOC(=O)C(CS)N.C(CCN)CC(C(=O)O)N

InChI

InChI=1S/C12H16N2O4S.C6H14N2O2/c13-9(7-19)12(17)18-14-10(11(15)16)6-8-4-2-1-3-5-8;7-4-2-1-3-5(8)6(9)10/h1-5,9-10,14,19H,6-7,13H2,(H,15,16);5H,1-4,7-8H2,(H,9,10)