2-azanylbutanedioic acid; 2-[(2-azanyl-4-methylsulfanyl-butanoyl)oxyamino]-3-phenyl-propanoic acid

Systemtic Name: 2-azanylbutanedioic acid; 2-[(2-azanyl-4-methylsulfanyl-butanoyl)oxyamino]-3-phenyl-propanoic acid Openeye Name: 2-aminobutanedioic acid; 2-[(2-amino-4-methylsulfanyl-butanoyl)oxyamino]-3-phenyl-propanoic acid CAS Name: 2-aminobutanedioic acid; 2-[[2-amino-4-(methylthio)-1-oxobutoxy]amino]-3-phenylpropanoic acid IUPAC Name: 2-aminobutanedioic acid; 2-[(2-amino-4-methylsulfanylbutanoyl)oxyamino]-3-phenylpropanoic acid Traditional Name: 2-[[2-amino-4-(methylthio)butanoyl]oxyamino]-3-phenyl-propionic acid; 2-aminosuccinic acid Formula: C22H34N4O12S MolecularWeight: 578.58996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)ONC(CC1=CC=CC=C1)C(=O)O)N.C(C(C(=O)O)N)C(=O)O.C(C(C(=O)O)N)C(=O)O

Isomeric SMILES

CSCCC(C(=O)ONC(CC1=CC=CC=C1)C(=O)O)N.C(C(C(=O)O)N)C(=O)O.C(C(C(=O)O)N)C(=O)O

InChI

InChI=1S/C14H20N2O4S.2C4H7NO4/c1-21-8-7-11(15)14(19)20-16-12(13(17)18)9-10-5-3-2-4-6-10;2*5-2(4(8)9)1-3(6)7/h2-6,11-12,16H,7-9,15H2,1H3,(H,17,18);2*2H,1,5H2,(H,6,7)(H,8,9)