Dechloro-balhimycin V
AlkaPlorer ID: AK064247
Synonym: None
IUPAC Name: (1S,2R,18R,19R,25R,28R,40R)-2-[(2R,4S,6S)-4-amino-4,6-dimethyl-5-oxooxan-2-yl]oxy-48-[(2S,3R,4S,5S,6R)-3-[(2R,4S,6S)-4-amino-4,6-dimethyl-5-oxooxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-18,32,35,37-tetrahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]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(50),4,6(49),8,10,12(48),14(47),15,17(46),29(45),30,32,34(39),35,37-pentadecaene-40-carboxylic acid
Structure
SMILES: CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)NC(CC(N)=O)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@](C)(N)C(=O)[C@H](C)O3)C3=CC=C(C=C3)OC3=CC2=CC(=C3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)C(=O)[C@H](C)O2)OC2=CC=C(C=C2)[C@H]1O
InChI: InChI=1S/C73H86N10O26/c1-28(2)18-40(77-7)64(94)82-54-56(89)31-8-13-36(14-9-31)104-44-20-34-21-45(60(44)109-71-61(58(91)57(90)46(27-84)106-71)108-49-26-73(6,76)63(93)30(4)103-49)105-37-15-10-32(11-16-37)59(107-48-25-72(5,75)62(92)29(3)102-48)55-69(99)81-53(70(100)101)39-22-35(85)23-43(87)50(39)38-19-33(12-17-42(38)86)51(66(96)83-55)80-67(97)52(34)79-65(95)41(24-47(74)88)78-68(54)98/h8-17,19-23,28-30,40-41,46,48-49,51-59,61,71,77,84-87,89-91H,18,24-27,75-76H2,1-7H3,(H2,74,88)(H,78,98)(H,79,95)(H,80,97)(H,81,99)(H,82,94)(H,83,96)(H,100,101)/t29-,30-,40+,41?,46+,48-,49-,51+,52+,53+,54+,55-,56+,57+,58-,59+,61+,71-,72-,73-/m0/s1
InChIKey: ASFBVALBQHMSMU-LBAQXYGBSA-N
Reference
New 4-Oxovancosamine-containing Glycopeptide Antibiotics from Amycolatopsis sp. Y-86,21022.
PubChem CID: 16145648
LOTUS: LTS0025185
{NPAtlas: NPA007858
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Amycolatopsis sp. | Amycolatopsis | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1519.5350000000003
TPSA？: 568.6500000000003
MolLogP？: -0.546700000000006
Number of H-Donors: 18
Number of H-Acceptors: 28
RingCount: 13
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|