Compound ID | 1374

Update compound information

SPR1205

Class: Polymixin B analogue

Spectrum of activity: Gram-negative
Institute where first reported: Spero Therapeutics Inc.
Year first mentioned: 2019
Highest developmental phase: Preclinical
Chemical structure(s):
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Molecular weight: 1090.32
Iso. SMILES: O=C1N[C@H](C(N[C@H](C2=CC=CC=C2)C(N[C@@H](CC(C)C)C(=O)N[C@H](C(N[C@H](C(N[C@H](C(NCC[C@@H]1NC([C@H](CN)NC([C@H]([C@H](O)C)NC(C[C@H](CN)CCCCC)=O)=O)=O)=O)[C@@H](C)O)=O)CCN)=O)CCN)=O)=O)CCN
InChI Key: GYHKKCUIWZXNIU-ZUQASHBXSA-N
Can. SMILES: CCCCC[C@H](CC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CN)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](C2=CC=CC=C2)NC(=O)[C@H](CCN)NC1=O)CN
InChI: InChI=1S/C50H87N15O12/c1-6-7-9-12-30(25-54)24-38(68)63-40(29(5)67)49(76)62-37(26-55)47(74)60-35-18-22-56-48(75)39(28(4)66)64-44(71)33(16-20-52)57-42(69)32(15-19-51)59-46(73)36(23-27(2)3)61-50(77)41(31-13-10-8-11-14-31)65-45(72)34(17-21-53)58-43(35)70/h8,10-11,13-14,27-30,32-37,39-41,66-67H,6-7,9,12,15-26,51-55H2,1-5H3,(H,56,75)(H,57,69)(H,58,70)(H,59,73)(H,60,74)(H,61,77)(H,62,76)(H,63,68)(H,64,71)(H,65,72)/t28-,29-,30-,32+,33+,34+,35+,36+,37+,39+,40+,41-/m1/s1
External links:
Citations:
  • https://aac.asm.org/content/63/10/e00935-19

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