(2R)-N-[3-[2-[2-[3-[[(2R)-2,4-Dihydroxy-3,3-Dimethylbutanoyl]Amino]Propanoylamino]Ethyldisulfanyl]Ethylamino]-3-Oxopropyl]-2,4-Dihydroxy-3,3-Dimethylbutanamide
[CAS# 303-05-9]

Identification

• Name: (2R)-N-[3-[2-[2-[3-[[(2R)-2,4-Dihydroxy-3,3-Dimethylbutanoyl]Amino]Propanoylamino]Ethyldisulfanyl]Ethylamino]-3-Oxopropyl]-2,4-Dihydroxy-3,3-Dimethylbutanamide
• Synonyms: (2R)-N-[3-[2-[2-[3-[[(2R)-2,4-Dihydroxy-3,3-Dimethyl-Butanoyl]Amino]Propanoylamino]Ethyldisulfanyl]Ethylamino]-3-Oxo-Propyl]-2,4-Dihydroxy-3,3-Dimethyl-Butanamide; (2R)-N-[3-[2-[2-[[3-[[(2R)-2,4-Dihydroxy-3,3-Dimethyl-1-Oxobutyl]Amino]-1-Oxopropyl]Amino]Ethyldisulfanyl]Ethylamino]-3-Oxopropyl]-2,4-Dihydroxy-3,3-Dimethylbutanamide; (2R)-N-[3-[2-[2-[3-[[(2R)-2,4-Dihydroxy-3,3-Dimethyl-Butanoyl]Amino]Propanoylamino]Ethyldisulfanyl]Ethylamino]-3-Keto-Propyl]-2,4-Dihydroxy-3,3-Dimethyl-Butyramide
• Molecular Formula: C₂₂H₄₂N₄O₈S₂
• Molecular Weight: 554.72
• CAS Registry Number: 303-05-9
• SMILES: [C@H](C(NCCC(NCCSSCCNC(CCNC([C@@H](C(CO)(C)C)O)=O)=O)=O)=O)(C(CO)(C)C)O
• InChI: 1S/C22H42N4O8S2/c1-21(2,13-27)17(31)19(33)25-7-5-15(29)23-9-11-35-36-12-10-24-16(30)6-8-26-20(34)18(32)22(3,4)14-28/h17-18,27-28,31-32H,5-14H2,1-4H3,(H,23,29)(H,24,30)(H,25,33)(H,26,34)/t17-,18-/m0/s1
• InChIKey: DJWYOLJPSHDSAL-ROUUACIJSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 987.2±65.0°C at 760 mmHg (Cal.)
• Flash point: 550.8±34.3°C (Cal.)