Pentixafor
Product Code
TRC-P275603-25MG
CAS Number
Product Format
Neat
Molecular Formula
C60 H80 N14 O14
Molecular Weight
1221.363
Product Categories
Price and availability
Product Information
Product Data
Analyte Name
Pentixafor
CAS Number
1341207-62-2
Molecular Formula
C60 H80 N14 O14
Molecular Weight
1221.363
Accurate Mass
1220.598
SMILES
CN1[C@H](CCCNC(=O)c2ccc(CNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc4ccc5ccccc5c4)C(=O)NCC(=O)N[C@H](Cc6ccc(O)cc6)C1=O
InChI
InChI=1S/C60H80N14O14/c1-70-49(9-5-20-63-55(84)43-16-10-40(11-17-43)33-65-51(77)35-71-22-24-72(36-52(78)79)26-28-74(38-54(82)83)29-27-73(25-23-71)37-53(80)81)58(87)68-46(8-4-21-64-60(61)62)57(86)69-47(32-41-12-15-42-6-2-3-7-44(42)30-41)56(85)66-34-50(76)6
IUPAC
2-[4-[2-[[4-[3-[(2R,5S,8S,14R)-5-(3-carbamimidamidopropyl)-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propylcarbamoyl]phenyl]methylamino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1
Storage & Transport Information
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Attributes
Product Format
Neat
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