Teicoplanin A2-1
AlkaPlorer ID: AK075112
Synonym: None
IUPAC Name: (1S,2R,19R,22R,34S,37R,40R,52S)-22-amino-5,15-dichloro-64-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-3-[[(Z)-1-hydroxydec-4-enylidene]amino]-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(1-hydroxyethylideneamino)-6-(hydroxymethyl)oxan-2-yl]oxy-21,26,31,35,38,44,49,54,56,59-decahydroxy-47-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,20,23(61),24,26,29(60),30,32,35,38,41(57),42,44,46(51),47,49,53,55,58,62,65-heptacosaene-52-carboxylic acid
Structure
SMILES: CCCCC/C=C\CCC(O)=N[C@H]1[C@H](OC2=C3C=C4C=C2OC2=CC=C(C=C2Cl)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O)[C@@H]2N=C(O)[C@H](N=C(O)[C@@H]4N=C(O)[C@H]4N=C(O)[C@@H](CC5=CC=C(O3)C(Cl)=C5)N=C(O)[C@H](N)C3=CC=C(O)C(=C3)OC3=CC(O)=CC4=C3)C3=CC=C(O)C(=C3)C3=C(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)C=C(O)C=C3[C@@H](C(=O)O)N=C2O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChI: InChI=1S/C88H95Cl2N9O33/c1-3-4-5-6-7-8-9-10-60(108)94-68-74(113)71(110)58(32-101)129-87(68)132-78-55-26-40-27-56(78)126-52-18-14-38(24-47(52)90)77(131-86-67(92-34(2)103)73(112)70(109)57(31-100)128-86)69-84(121)98-66(85(122)123)45-29-42(105)30-54(127-88-76(115)75(114)72(111)59(33-102)130-88)61(45)44-23-37(13-15-49(44)106)63(81(118)99-69)96-83(120)65(40)97-82(119)64-39-21-41(104)28-43(22-39)124-53-25-36(12-16-50(53)107)62(91)80(117)93-48(79(116)95-64)20-35-11-17-51(125-55)46(89)19-35/h7-8,11-19,21-30,48,57-59,62-77,86-88,100-102,104-107,109-115H,3-6,9-10,20,31-33,91H2,1-2H3,(H,92,103)(H,93,117)(H,94,108)(H,95,116)(H,96,120)(H,97,119)(H,98,121)(H,99,118)(H,122,123)/b8-7-/t48-,57-,58-,59-,62-,63-,64+,65-,66+,67-,68-,69+,70-,71-,72-,73-,74-,75+,76+,77-,86+,87+,88+/m1/s1
InChIKey: YMWQIYMUNZBOOV-CFYXQOLXSA-N
Reference
Structure elucidation of the teicoplanin antibiotics
PubChem CID: 16135801
LOTUS: LTS0056432
{NPAtlas: NPA013039
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinoplanes teichomyceticus | Actinoplanes | Micromonosporaceae | Micromonosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1877.664000000001
TPSA？: 690.3300000000004
MolLogP？: 7.662000000000016
Number of H-Donors: 24
Number of H-Acceptors: 33
RingCount: 16
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|