(2R)-2-Acetamido-3-[4-[[2-[2-[2-(Hydroxyamino)-2-Oxoethyl]Heptanoyl]Diazinane-3-Carbonyl]Amino]-5-Methyl-3-Oxoheptyl]Sulfanylpropanoic Acid
[CAS# 140626-94-4]

Identification

• Name: (2R)-2-Acetamido-3-[4-[[2-[2-[2-(Hydroxyamino)-2-Oxoethyl]Heptanoyl]Diazinane-3-Carbonyl]Amino]-5-Methyl-3-Oxoheptyl]Sulfanylpropanoic Acid
• Synonyms: (2R)-2-Acetamido-3-[4-[[2-[2-[2-(Hydroxyamino)-2-Oxo-Ethyl]Heptanoyl]Hexahydropyridazine-3-Carbonyl]Amino]-5-Methyl-3-Oxo-Heptyl]Sulfanyl-Propanoic Acid; (2R)-2-Acetamido-3-[[4-[[[2-[2-[2-(Hydroxyamino)-2-Oxoethyl]-1-Oxoheptyl]-3-Hexahydropyridazinyl]-Oxomethyl]Amino]-5-Methyl-3-Oxoheptyl]Thio]Propanoic Acid; (2R)-2-Acetamido-3-[[4-[[2-[2-[2-(Hydroxyamino)-2-Keto-Ethyl]Heptanoyl]Hexahydropyridazine-3-Carbonyl]Amino]-3-Keto-5-Methyl-Heptyl]Thio]Propionic Acid
• Molecular Formula: C₂₇H₄₇N₅O₈S
• Molecular Weight: 601.76
• CAS Registry Number: 140626-94-4
• SMILES: [C@H](C(=O)O)(NC(=O)C)CSCCC(C(C(CC)C)NC(=O)C1CCCNN1C(C(CCCCC)CC(=O)NO)=O)=O
• InChI: 1S/C27H47N5O8S/c1-5-7-8-10-19(15-23(35)31-40)26(37)32-21(11-9-13-28-32)25(36)30-24(17(3)6-2)22(34)12-14-41-16-20(27(38)39)29-18(4)33/h17,19-21,24,28,40H,5-16H2,1-4H3,(H,29,33)(H,30,36)(H,31,35)(H,38,39)/t17?,19?,20-,21?,24?/m0/s1
• InChIKey: FKOLSKSZEQBBHL-IKXKWNMQSA-N

Properties

• Density: 1.215g/cm³ (Cal.)