Gausemycin B
AlkaPlorer ID: AK328224
Synonym: None
IUPAC Name: 5-[[(2S)-1-[[(3S,6S,12S,18S,21R,28S)-6-[2-(2-amino-4-chlorophenyl)-2-oxoethyl]-18-(carboxymethyl)-12-(hydroxymethyl)-3,25-dimethyl-21-(2-methylpropyl)-2,5,8,11,14,17,20,23,27-nonaoxo-1,4,7,10,13,16,19,22,26-nonazabicyclo[26.3.0]hentriacontan-24-yl]amino]-1-oxo-3-[4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]propan-2-yl]amino]-4-[[2-[[(2R)-5-(3-aminopropanoylamino)-2-[3-[[(2Z,4E)-6-methylhepta-2,4-dienoyl]amino]propanoylamino]pentanoyl]amino]-4-hydroxy-4-phenylbutanoyl]amino]-3-hydroxy-5-oxopentanoic acid
Structure
SMILES: CC(C)/C=C/C=C\C(=O)NCCC(=O)N[C@H](CCCNC(=O)CCN)C(=O)NC(CC(O)C1=CC=CC=C1)C(=O)NC(C(=O)N[C@@H](CC1=CC=C(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1)C(=O)NC1C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(=O)C2=CC=C(Cl)C=C2N)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)NC1C)C(O)CC(=O)O
InChI: InChI=1S/C87H121ClN18O29/c1-43(2)14-10-11-19-65(112)92-30-27-67(114)97-53(17-12-29-91-66(113)26-28-89)78(125)100-57(35-61(108)48-15-8-7-9-16-48)82(129)105-73(63(110)38-71(119)120)85(132)103-55(33-47-20-23-50(24-21-47)135-87-75(122)74(121)64(111)42-134-87)81(128)104-72-45(5)95-83(130)60-18-13-31-106(60)86(133)46(6)96-79(126)56(36-62(109)51-25-22-49(88)34-52(51)90)98-68(115)39-94-77(124)59(41-107)99-69(116)40-93-76(123)58(37-70(117)118)101-80(127)54(32-44(3)4)102-84(72)131/h7-11,14-16,19-25,34,43-46,53-61,63-64,72-75,87,107-108,110-111,121-122H,12-13,17-18,26-33,35-42,89-90H2,1-6H3,(H,91,113)(H,92,112)(H,93,123)(H,94,124)(H,95,130)(H,96,126)(H,97,114)(H,98,115)(H,99,116)(H,100,125)(H,101,127)(H,102,131)(H,103,132)(H,104,128)(H,105,129)(H,117,118)(H,119,120)/b14-10+,19-11-/t45?,46-,53+,54+,55-,56-,57?,58-,59-,60-,61?,63?,64-,72?,73?,74-,75+,87-/m0/s1
InChIKey: ZSGBYOOWDWUSGB-ULKWOHBESA-N
Reference
Gausemycins A,B: Cyclic Lipoglycopeptides from<i>Streptomyces</i>sp.**
PubChem CID: 169492264
{NPAtlas: NPA033085
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1918.475000000001
TPSA？: 740.3600000000001
MolLogP？: -6.842599999999981
Number of H-Donors: 25
Number of H-Acceptors: 29
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|