Compound ID | 51

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Temporin B

Class: Antimicrobial peptide

Spectrum of activity: Gram-positive
Details of activity: Staphylococcus aureus, invasive skin and soft tissue infections (SSTIs). Unknown mechanism.
Institute where first reported: Istituto Pasteur-Fondazione Cenci Bolognetti, Dipartimento di Scienze Biochimiche “A. Rossi Fanelli,” Sapienza Università di Roma, Rome, Italy
Year first mentioned: 2000
Highest developmental phase: Preclinical
Development status: Experimental
Chemical structure(s):
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Molecular weight: 1391.79
Iso. SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N
InChI Key: AYROABJJLVQQJK-UCGIAFIRSA-N
Can. SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N
InChI: InChI=1S/C67H122N16O15/c1-17-41(16)55(82-64(95)51-22-20-24-83(51)67(98)49(30-39(12)13)79-57(88)42(69)25-34(2)3)66(97)81-54(40(14)15)65(96)72-32-53(86)73-48(31-52(70)85)62(93)77-47(29-38(10)11)61(92)76-45(27-36(6)7)59(90)74-43(21-18-19-23-68)58(89)80-50(33-84)63(94)78-46(28-37(8)9)60(91)75-44(56(71)87)26-35(4)5/h34-51,54-55,84H,17-33,68-69H2,1-16H3,(H2,70,85)(H2,71,87)(H,72,96)(H,73,86)(H,74,90)(H,75,91)(H,76,92)(H,77,93)(H,78,94)(H,79,88)(H,80,89)(H,81,97)(H,82,95)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,54-,55-/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/10102994
Citations:
  • http://aac.asm.org/content/44/1/68.full
  • http://aac.asm.org/content/58/5/2520.full

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