Polymyxin B6

AlkaPlorer ID: AK319798

Synonym: None

IUPAC Name: None

Structure

SMILES: CC[C@H](C)CC[C@H](O)CC(O)=N[C@@H](CCN)C(O)=N[C@H](C(O)=N[C@@H](CCN)C(O)=N[C@H]1CCN=C(O)[C@H]([C@@H](C)O)N=C(O)[C@H](CCN)N=C(O)[C@H](CCN)N=C(O)[C@@H](CC(C)C)N=C(O)[C@@H](CC2=CC=CC=C2)N=C(O)[C@H](CCN)N=C1O)[C@@H](C)O

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InChI: InChI=1S/C56H98N16O14/c1-7-31(4)13-14-35(75)29-44(76)63-36(15-21-57)51(81)72-46(33(6)74)56(86)68-39(18-24-60)48(78)67-41-20-26-62-55(85)45(32(5)73)71-52(82)40(19-25-61)65-47(77)37(16-22-58)66-53(83)42(27-30(2)3)69-54(84)43(28-34-11-9-8-10-12-34)70-49(79)38(17-23-59)64-50(41)80/h8-12,30-33,35-43,45-46,73-75H,7,13-29,57-61H2,1-6H3,(H,62,85)(H,63,76)(H,64,80)(H,65,77)(H,66,83)(H,67,78)(H,68,86)(H,69,84)(H,70,79)(H,71,82)(H,72,81)/t31-,32+,33+,35-,36-,37-,38-,39-,40-,41-,42+,43+,45-,46-/m0/s1

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InChIKey: VXKUKGSGMZZTDI-XWDMMGJBSA-N

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Reference

NPASS: NPC297319

Properties Information

Molecule Weight: 1219.498

TPSA: 549.2800000000001

MolLogP: 2.9692999999999885

Number of H-Donors: 19

Number of H-Acceptors: 19

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information