5-Amino-5-carboxyvaleramido-(5-formyl-4-carboxy-2H,3H,6H-tetrahydro-1,3-thiazinyl)glycine
[CAS# 56136-29-9]

Identification

• Name: 5-Amino-5-carboxyvaleramido-(5-formyl-4-carboxy-2H,3H,6H-tetrahydro-1,3-thiazinyl)glycine
• Synonyms: 2-[1-[(5-Amino-6-Hydroxy-6-Oxo-Hexanoyl)Amino]-2-Hydroxy-2-Oxo-Ethyl]-5-Formyl-3,6-Dihydro-2H-1,3-Thiazine-4-Carboxylic Acid; 2-[1-[(5-Amino-6-Hydroxy-1,6-Dioxohexyl)Amino]-2-Hydroxy-2-Oxoethyl]-5-Formyl-3,6-Dihydro-2H-1,3-Thiazine-4-Carboxylic Acid; 2-[1-[(5-Amino-6-Hydroxy-6-Keto-Hexanoyl)Amino]-2-Hydroxy-2-Keto-Ethyl]-5-Formyl-3,6-Dihydro-2H-1,3-Thiazine-4-Carboxylic Acid
• Molecular Formula: C₁₄H₁₉N₃O₈S
• Molecular Weight: 389.38
• CAS Registry Number: 56136-29-9
• SMILES: C(C(=O)NC(C1SCC(=C(N1)C(=O)O)C=O)C(=O)O)CCC(N)C(=O)O
• InChI: 1S/C14H19N3O8S/c15-7(12(20)21)2-1-3-8(19)16-10(14(24)25)11-17-9(13(22)23)6(4-18)5-26-11/h4,7,10-11,17H,1-3,5,15H2,(H,16,19)(H,20,21)(H,22,23)(H,24,25)
• InChIKey: GURXGLANODQSQH-UHFFFAOYSA-N

Properties

• Density: 1.596g/cm³ (Cal.)
• Boiling point: 822.407°C at 760 mmHg (Cal.)
• Flash point: 451.176°C (Cal.)