L-Alanyl-L-alanyl-3-({2-[(2,6-dicarboxy-4-pyridinyl)amino]ethyl}disulfanyl)-L-alanine
[CAS# 88090-55-5]

Identification

• Name: L-Alanyl-L-alanyl-3-({2-[(2,6-dicarboxy-4-pyridinyl)amino]ethyl}disulfanyl)-L-alanine
• Synonyms: Ala-ala-cys-mepda; Alanylalanyl-S-(4-(N-(2-thioethyl))aminopyridine-2,6-dicarboxylic acid)cysteine
• Molecular Formula: C₁₈H₂₅N₅O₈S₂
• Molecular Weight: 503.55
• CAS Registry Number: 88090-55-5
• SMILES: O=C(O)c1nc(cc(NCCSSC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)C)C)c1)C(=O)O
• InChI: 1S/C18H25N5O8S2/c1-8(19)14(24)21-9(2)15(25)23-13(18(30)31)7-33-32-4-3-20-10-5-11(16(26)27)22-12(6-10)17(28)29/h5-6,8-9,13H,3-4,7,19H2,1-2H3,(H,20,22)(H,21,24)(H,23,25)(H,26,27)(H,28,29)(H,30,31)/t8-,9-,13-/m0/s1
• InChIKey: XVIVGEVJDSWUPH-RVBZMBCESA-N

Properties

• Density: 1.519g/cm³ (Cal.)
• Boiling point: 961.262°C at 760 mmHg (Cal.)
• Flash point: 535.152°C (Cal.)