Compound ID | 50

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Temporin A

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: 1396.76
Iso. SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=CC=C2)N
InChI Key: NMMAFNVBUDEZDD-VMMPLCMKSA-N
Can. SMILES: CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=CC=C2)N
InChI: InChI=1S/C68H117N17O14/c1-15-41(13)55(84-62(94)48(30-38(7)8)78-63(95)51-25-21-27-85(51)67(99)49(31-39(9)10)80-58(90)44(69)32-43-22-18-17-19-23-43)64(96)75-33-52(87)76-45(24-20-26-73-68(71)72)60(92)83-54(40(11)12)65(97)79-47(29-37(5)6)61(93)81-50(35-86)59(91)74-34-53(88)82-56(42(14)16-2)66(98)77-46(57(70)89)28-36(3)4/h17-19,22-23,36-42,44-51,54-56,86H,15-16,20-21,24-35,69H2,1-14H3,(H2,70,89)(H,74,91)(H,75,96)(H,76,87)(H,77,98)(H,78,95)(H,79,97)(H,80,90)(H,81,93)(H,82,88)(H,83,92)(H,84,94)(H4,71,72,73)/t41-,42-,44-,45-,46-,47-,48-,49-,50-,51-,54-,55-,56-/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/9920205
Citations:
  • http://aac.asm.org/content/44/1/68.full
  • http://aac.asm.org/content/58/5/2520.full

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