Compound ID | 1682

Update compound information

Ala-geninthiocin

Class: Antimicrobial peptide (thiopeptide)

Spectrum of activity: Gram-positive
Description: Natural product from marine Streptomyces sp. ICN19
Institute where first reported: International Centre for Nanobiotechnology, India
Year first mentioned: 2018
Highest developmental phase: Preclinical
Chemical structure(s):
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Molecular weight: 1116.08
Iso. SMILES: CC=C1C2=NC(=CO2)C(=O)NC(=C)C(=O)N[C@H](C(=O)NC(=C)C3=NC(=C(O3)C)C(=O)NC(=C)C(=O)NC(=C)C4=NC(=CO4)C5=C(C=CC(=N5)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)C6=NC(=CS6)C(=O)N[C@H](C(=O)N1)[C@@H](C)O)C(C)C
InChI Key: BUWWXQACKZTOAC-OCVOMCNHSA-N
Can. SMILES: CC=C1C2=NC(=CO2)C(=O)NC(=C)C(=O)N[C@@H](C(C)C)C(=O)NC(=C)C3=NC(=C(C)O3)C(=O)NC(=C)C(=O)NC(=C)C4=NC(=CO4)C5=NC(=CC=C5C6=NC(=CS6)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)NC(=C)C(=O)NC(=C)C(=O)N
InChI: InChI=1S/C50H49N15O14S/c1-12-28-49-61-31(16-78-49)42(72)54-22(7)40(70)63-33(18(2)3)44(74)57-24(9)48-65-35(26(11)79-48)46(76)55-21(6)39(69)56-23(8)47-60-30(15-77-47)36-27(50-62-32(17-80-50)43(73)64-34(25(10)66)45(75)59-28)13-14-29(58-36)41(71)53-20(5)38(68)52-19(4)37(51)67/h12-18,25,33-34,66H,4-9H2,1-3,10-11H3,(H2,51,67)(H,52,68)(H,53,71)(H,54,72)(H,55,76)(H,56,69)(H,57,74)(H,59,75)(H,63,70)(H,64,73)/t25-,33+,34+/m1/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/145720674
Citation: https://www.nature.com/articles/s41429-018-0115-2

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