ARGINYL-DAB1 POLYMYXIN B
FEATURES
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NAMES
  • Arginyl-Dab1 Polymyxin B
SMILES
CCC(C)CCCCC(=O)N[C@@H](CCNC(=O)C(N)CCCNC(=N)N)C(=O)N[C@@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O
InChI
InChI=1S/C62H110N20O14/c1-7-35(4)14-11-12-18-48(85)73-44(23-30-70-51(86)39(67)17-13-29-72-62(68)69)57(92)82-50(37(6)84)61(96)78-42(21-27-65)53(88)77-45-24-31-71-60(95)49(36(5)83)81-56(91)43(22-28-66)75-52(87)40(19-25-63)76-58(93)46(32-34(2)3)79-59(94)47(33-38-15-9-8-10-16-38)80-54(89)41(20-26-64)74-55(45)90/h8-10,15-16,34-37,39-47,49-50,83-84H,7,11-14,17-33,63-67H2,1-6H3,(H,70,86)(H,71,95)(H,73,85)(H,74,90)(H,75,87)(H,76,93)(H,77,88)(H,78,96)(H,79,94)(H,80,89)(H,81,91)(H,82,92)(H4,68,69,72)/t35?,36-,37-,39?,40+,41+,42+,43+,44+,45+,46+,47-,49-,50-/m1/s1
MOLECULAR FORMULA
C62H110N20O14
CROSS REFERENCES
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ARGINYL-DAB1 POLYMYXIN B
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight1358.85
AlogP-6.50
HBond donors28
HBond acceptors34
Atoms206
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by ARGINYL-DAB1 POLYMYXIN B.