Chitinovorin D
[CAS# 96684-37-6]

Identification

• Name: Chitinovorin D
• Synonyms: 7-[(5-Amino-6-Hydroxy-6-Oxo-Hexanoyl)Amino]-3-[[4-[2-[[4-(2-Aminopropanoylamino)-7-Guanidino-3-Hydroxy-Heptanoyl]Amino]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
• Molecular Formula: C₃₇H₆₂N₁₄O₁₄S
• Molecular Weight: 959.04
• CAS Registry Number: 96684-37-6
• SMILES: C(OC(=O)CC(O)C(NC(=O)C(NC(=O)CC(O)C(NC(=O)C(N)C)CCCN=C(N)N)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/C37H62N14O14S/c1-17(38)29(58)48-21(7-4-10-44-35(40)41)23(53)12-26(56)47-18(2)30(59)49-22(8-5-11-45-36(42)43)24(54)13-27(57)65-14-19-15-66-34-37(46-16-52,33(64)51(34)28(19)32(62)63)50-25(55)9-3-6-20(39)31(60)61/h16-18,20-24,34,53-54H,3-15,38-39H2,1-2H3,
• InChIKey: GCPKIYOLMMZEDT-UHFFFAOYSA-N

Properties

• Density: 1.648g/cm³ (Cal.)