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Tiglicamide A

AlkaPlorer ID: AK025405

Synonym: None

IUPAC Name: 3-[(3S,6R,9Z,12S,15S,16R)-9-ethylidene-3-[2-(4-hydroxyphenyl)ethyl]-15-[[(2R)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-[[(E)-2-methylbut-2-enoyl]amino]butanoyl]amino]propanoyl]amino]-12,16-dimethyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetrazacyclohexadec-6-yl]propanoic acid

Structure

SMILES: C/C=C1\N=C(O)[C@H](C)N=C(O)[C@@H](N=C(O)[C@@H](CC2=CC=C(O)C=C2)N=C(O)[C@@H](N=C(O)/C(C)=C/C)C(C)C)[C@@H](C)OC(=O)[C@H](CCC2=CC=C(O)C=C2)N=C(O)[C@@H](CCC(=O)O)N=C1O

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InChI: InChI=1S/C45H59N7O13/c1-8-24(5)38(57)51-36(23(3)4)43(62)50-34(22-28-12-17-30(54)18-13-28)42(61)52-37-26(7)65-45(64)33(19-14-27-10-15-29(53)16-11-27)49-41(60)32(20-21-35(55)56)48-40(59)31(9-2)47-39(58)25(6)46-44(37)63/h8-13,15-18,23,25-26,32-34,36-37,53-54H,14,19-22H2,1-7H3,(H,46,63)(H,47,58)(H,48,59)(H,49,60)(H,50,62)(H,51,57)(H,52,61)(H,55,56)/b24-8+,31-9-/t25-,26+,32+,33-,34+,36-,37-/m0/s1

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InChIKey: QBFLXQREXRVZCV-IAOICVMWSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Lyngbya confervoides Lyngbya Oscillatoriaceae Oscillatoriales Cyanophyceae Cyanobacteriota None Bacteria

Properties Information

Molecule Weight: 906.003

TPSA？: 332.19

MolLogP？: 6.536200000000007

Number of H-Donors: 10

Number of H-Acceptors: 12

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information