Gausemycin A
AlkaPlorer ID: AK328223
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-amino-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](CCCN)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/C84H116ClN17O28/c1-41(2)14-10-11-19-63(108)88-28-26-64(109)93-51(17-12-27-86)75(120)96-55(33-59(104)46-15-8-7-9-16-46)79(124)101-70(61(106)36-68(114)115)82(127)99-53(31-45-20-23-48(24-21-45)130-84-72(117)71(116)62(107)40-129-84)78(123)100-69-43(5)91-80(125)58-18-13-29-102(58)83(128)44(6)92-76(121)54(34-60(105)49-25-22-47(85)32-50(49)87)94-65(110)37-90-74(119)57(39-103)95-66(111)38-89-73(118)56(35-67(112)113)97-77(122)52(30-42(3)4)98-81(69)126/h7-11,14-16,19-25,32,41-44,51-59,61-62,69-72,84,103-104,106-107,116-117H,12-13,17-18,26-31,33-40,86-87H2,1-6H3,(H,88,108)(H,89,118)(H,90,119)(H,91,125)(H,92,121)(H,93,109)(H,94,110)(H,95,111)(H,96,120)(H,97,122)(H,98,126)(H,99,127)(H,100,123)(H,101,124)(H,112,113)(H,114,115)/b14-10+,19-11-/t43?,44-,51+,52+,53-,54-,55?,56-,57-,58-,59?,61?,62-,69?,70?,71-,72+,84-/m0/s1
InChIKey: PMTCHUARAZYWIB-ORKFZHLJSA-N
Reference
Gausemycins A,B: Cyclic Lipoglycopeptides from<i>Streptomyces</i>sp.**
PubChem CID: 169492263
{NPAtlas: NPA033084
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1847.396000000001
TPSA？: 711.26
MolLogP？: -6.348899999999983
Number of H-Donors: 24
Number of H-Acceptors: 28
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|