None
AlkaPlorer ID: AK324106
Synonym: None
IUPAC Name: (4S)-4-[[(2R)-2-[[2-[[(2S)-2-[[[(2S)-1-[2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[2-[[(2S)-1,5-dihydroxy-2-[[(2S)-1-hydroxy-2-[[1-hydroxy-2-[[(2S)-1-hydroxy-2-[[1-hydroxy-2-[[(2S)-1-hydroxy-2-[[1-hydroxy-2-(1-hydroxyethylideneamino)-2-methylpropylidene]amino]propylidene]amino]-2-methylpropylidene]amino]propylidene]amino]-2-methylpropylidene]amino]propylidene]amino]-5-iminopentylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-2-methylpropanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-2-methylbutylidene]amino]-5-[(2S)-1,5-dihydroxy-1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]imino-5-iminopentan-2-yl]imino-5-hydroxypentanoic acid
Structure
SMILES: CC[C@@](C)(N=C(O)C(C)(C)N=C(O)[C@@H](N=C(O)[C@@H]1CCCN1C(=O)C(C)(C)N=C(O)[C@H](CC(C)C)N=C(O)CN=C(O)C(C)(C)N=C(O)[C@@H](N=C(O)C(C)(C)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@H](C)N=C(O)C(C)(C)N=C(O)[C@H](C)N=C(O)C(C)(C)N=C(O)[C@H](C)N=C(O)C(C)(C)N=C(C)O)C(C)C)C(C)C)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@H](CO)CC1=CC=CC=C1
InChI: InChI=1S/C91H150N22O25/c1-27-91(26,82(137)102-56(37-40-63(119)120)70(125)101-55(35-38-60(92)116)69(124)98-54(45-114)43-53-32-29-28-30-33-53)112-81(136)89(22,23)111-74(129)64(47(4)5)103-73(128)59-34-31-41-113(59)83(138)90(24,25)109-72(127)58(42-46(2)3)99-62(118)44-94-76(131)84(12,13)110-75(130)65(48(6)7)104-80(135)88(20,21)108-71(126)57(36-39-61(93)117)100-66(121)49(8)95-78(133)86(16,17)106-68(123)51(10)97-79(134)87(18,19)107-67(122)50(9)96-77(132)85(14,15)105-52(11)115/h28-30,32-33,46-51,54-59,64-65,114H,27,31,34-45H2,1-26H3,(H2,92,116)(H2,93,117)(H,94,131)(H,95,133)(H,96,132)(H,97,134)(H,98,124)(H,99,118)(H,100,121)(H,101,125)(H,102,137)(H,103,128)(H,104,135)(H,105,115)(H,106,123)(H,107,122)(H,108,126)(H,109,127)(H,110,130)(H,111,129)(H,112,136)(H,119,120)/t49-,50-,51-,54-,55-,56-,57-,58-,59-,64-,65-,91+/m0/s1
InChIKey: OIABSFKIOCSYOZ-NYPZJKLISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Trichoderma longibrachiatum | Trichoderma | Hypocreaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 1952.3299999999992
TPSA？: 785.2100000000004
MolLogP？: 13.624239999999991
Number of H-Donors: 25
Number of H-Acceptors: 24
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Acholeplasma laidlawii | Acholeplasma laidlawii | MIC | 1560.0 | nM | 10.1021/np000240s |
| Acholeplasma laidlawii | Acholeplasma laidlawii | MLC | 3.12 | uM | 10.1021/np000240s |
| Mycoplasma mycoides subsp. mycoides SC | Mycoplasma mycoides subsp. mycoides SC | MIC | 6250.0 | nM | 10.1021/np000240s |
| Mycoplasma mycoides subsp. mycoides SC | Mycoplasma mycoides subsp. mycoides SC | MLC | 3.12 | uM | 10.1021/np000240s |
| Mycoplasmoides gallisepticum | Mycoplasmoides gallisepticum | MIC | 6250.0 | nM | 10.1021/np000240s |
| Mycoplasmoides gallisepticum | Mycoplasmoides gallisepticum | MLC | 3.12 | uM | 10.1021/np000240s |
| Spiroplasma apis | Spiroplasma apis | MIC | 12500.0 | nM | 10.1021/np000240s |
| Spiroplasma apis | Spiroplasma apis | MLC | 3.12 | uM | 10.1021/np000240s |
| Spiroplasma citri | Spiroplasma citri | MIC | 6250.0 | nM | 10.1021/np000240s |
| Spiroplasma citri | Spiroplasma citri | MLC | 3.12 | uM | 10.1021/np000240s |
| Spiroplasma floricola | Spiroplasma floricola | MIC | 12500.0 | nM | 10.1021/np000240s |
| Spiroplasma floricola | Spiroplasma floricola | MLC | 3.12 | uM | 10.1021/np000240s |
| None | No relevant target | Ratio | 540.0 | None | 10.1021/np000240s |