Avoparcin alpha
AlkaPlorer ID: AK016945
Synonym: None
IUPAC Name: (1S,2R,18R,19R,22S,25R,28R,40S)-2-[(2R,4R,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-48-[(2S,4S,5S,6R)-3-[(2R,4R,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-chloro-18,32,35,37-tetrahydroxy-22-(4-hydroxyphenyl)-19-[[(2R)-2-(methylamino)-2-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]acetyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14(47),15,17(46),29(45),30,32,34(39),35,37,49-pentadecaene-40-carboxylic acid
Structure
SMILES: CN[C@@H](C(=O)N[C@H]1C(=O)N[C@@H](C2=CC=C(O)C=C2)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C4=CC(O)=CC(O)=C4C4=CC3=CC=C4O)[C@H](O[C@H]3C[C@@H](N)[C@@H](O)[C@H](C)O3)C3=CC=C(OC4=CC2=CC(=C4O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)C2O[C@H]2C[C@@H](N)[C@@H](O)[C@H](C)O2)OC2=CC=C(C=C2)[C@H]1O)C(Cl)=C3)C1=CC=C(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)C=C1
InChI: InChI=1S/C83H92ClN9O31/c1-30-64(99)46(85)27-54(115-30)122-72-37-12-20-50(45(84)22-37)120-52-24-38-23-51(73(52)124-83-74(70(105)68(103)53(29-94)121-83)123-55-28-47(86)65(100)31(2)116-55)118-41-17-9-35(10-18-41)67(102)62(92-75(107)57(87-4)33-7-15-42(16-8-33)119-82-71(106)69(104)66(101)32(3)117-82)79(111)88-58(34-5-13-39(95)14-6-34)76(108)90-60(38)78(110)89-59-36-11-19-48(97)43(21-36)56-44(25-40(96)26-49(56)98)61(81(113)114)91-80(112)63(72)93-77(59)109/h5-26,30-32,46-47,53-55,57-72,74,82-83,87,94-106H,27-29,85-86H2,1-4H3,(H,88,111)(H,89,110)(H,90,108)(H,91,112)(H,92,107)(H,93,109)(H,113,114)/t30-,31-,32-,46+,47+,53+,54-,55-,57+,58-,59+,60+,61-,62+,63-,64-,65-,66-,67+,68+,69+,70-,71+,72+,74?,82-,83-/m0/s1
InChIKey: OTKPPUXRIADSGD-PPRNARJGSA-N
Reference
Amycolatopsis coloradensis sp. nov., the Avoparcin (LL-AV290)-Producing Strain
PubChem CID: 16132294
CAS: 37332-99-3
LOTUS: LTS0251274
{NPAtlas: NPA024639
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Amycolatopsis coloradensis | Amycolatopsis | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1747.1340000000005
TPSA？: 631.2600000000003
MolLogP？: -0.3540999999999821
Number of H-Donors: 23
Number of H-Acceptors: 33
RingCount: 16
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|