Chitinovorin B
[CAS# 95722-76-2]

Identification

• Name: Chitinovorin B
• Synonyms: 7-[(5-Amino-6-Hydroxy-6-Oxo-Hexanoyl)Amino]-3-[[4-[2-(2-Aminopropanoylamino)Propanoylamino]-7-Guanidino-3-Hydroxy-Heptanoyl]Oxymethyl]-7-Formamido-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; 7-[(5-Amino-6-Hydroxy-1,6-Dioxohexyl)Amino]-3-[[
• Molecular Formula: C₂₉H₄₆N₁₀O₁₂S
• Molecular Weight: 758.80
• CAS Registry Number: 95722-76-2
• SMILES: C(OC(=O)CC(O)C(NC(=O)C(NC(=O)C(N)C)C)CCCN=C(N)N)C1=C(N2C(SC1)C(NC(=O)CCCC(N)C(O)=O)(NC=O)C2=O)C(O)=O
• InChI: 1S/C29H46N10O12S/c1-13(30)22(44)36-14(2)23(45)37-17(6-4-8-34-28(32)33)18(41)9-20(43)51-10-15-11-52-27-29(35-12-40,26(50)39(27)21(15)25(48)49)38-19(42)7-3-5-16(31)24(46)47/h12-14,16-18,27,41H,3-11,30-31H2,1-2H3,(H,35,40)(H,36,44)(H,37,45)(H,38,42)(H,46,47)
• InChIKey: GYGJEMVAHZKULL-UHFFFAOYSA-N

Properties

• Density: 1.661g/cm³ (Cal.)