Skyllamycin-A

Type : Peptide || Natural || Macrolide || Antibiotic || Azabicyclo

Chemical_Nomenclature : (2S)-2-[(3S,9S,12S,15S,19S,22R,28R,31S,34S)-5,8,11,14,21,24,25,27,30,33-decahydroxy-31-[hydroxy-(4-methoxyphenyl)methyl]-19-[(1S)-1-hydroxy-2-methylpropyl]-3-[hydroxy(phenyl)methyl]-15-[[(E)-1-hydroxy-3-[2-[(Z)-prop-1-enyl]phenyl]prop-2-enylidene]amino]-28-(1H-indol-3-yl)-12,16-dimethyl-22-(2-methylpropyl)-2,18-dioxo-17-oxa-1,4,7,10,13,20,23,26,29,32-decazabicyclo[32.3.0]heptatriaconta-4,7,10,13,20,23,26,29,32-nonaen-9-yl]propanoic acid

Canonical SMILES : CC=CC1=CC=CC=C1C=CC(=NC2C(OC(=O)C(N=C(C(N=C(C(N=C(C(N=C(C(N=C(C3CCCN3C(=O)C(N=C(CN=C(C(N=C(C(N=C2O)C)O)C(C)C(=O)O)O)O)C(C4=CC=CC=C4)O)O)C(C5=CC=C(C=C5)OC)O)O)C6=CNC7=CC=CC=C76)O)O)O)CC(C)C)O)C(C(C)C)O)C)O

InChI : InChI=1S\/C74H92N12O20\/c1-10-19-42-20-14-15-21-43(42)29-32-52(87)79-55-41(8)106-74(104)59(60(89)38(4)5)84-64(93)50(34-37(2)3)78-70(99)71(100)85-68(97)56(48-35-75-49-25-17-16-24-47(48)49)82-69(98)57(61(90)45-27-30-46(105-9)31-28-45)83-65(94)51-26-18-33-86(51)72(101)58(62(91)44-22-12-11-13-23-44)80-53(88)36-76-66(95)54(39(6)73(102)103)81-63(92)40(7)77-67(55)96\/h10-17,19-25,27-32,35,37-41,50-51,54-62,71,75,89-91,100H,18,26,33-34,36H2,1-9H3,(H,76,95)(H,77,96)(H,78,99)(H,79,87)(H,80,88)(H,81,92)(H,82,98)(H,83,94)(H,84,93)(H,85,97)(H,102,103)\/b19-10-,32-29+\/t39-,40-,41?,50+,51-,54-,55-,56+,57-,58-,59-,60-,61?,62?,71?\/m0\/s1

InChIKey : ZYHYWMVLYDLDJA-BDIPROMVSA-N

Other name(s) : Skyllamycin A

MW : 1469.6

Formula : C74H92N12O20

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