81-82
AlkaPlorer ID: AK006552
Synonym: '', 'Acyclolaxaphycin B3'
IUPAC Name: (2R,3S)-2-[[(2S)-2-[[(3R)-3-[[(2S,3R)-2-[[(2R)-2-[[(2S,4R)-1-[(2S,3R)-2-[[(2R,3R)-4-amino-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2R,3S)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxy-4-methylpentanoyl]amino]-5-oxopentanoyl]-methylamino]-3-methylpentanoyl]amino]-3-hydroxy-4-oxobutanoyl]amino]-3-hydroxybutanoyl]-4-methylpyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]decanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-4-methylpentanoic acid
Structure
SMILES: CCCCCCC[C@H](CC(O)=N[C@H](C(O)=N[C@@H](C(=O)O)[C@@H](O)C(C)C)C(C)C)N=C(O)[C@@H](N=C(O)[C@@H](CC(C)C)N=C(O)[C@@H]1C[C@@H](C)CN1C(=O)[C@@H](N=C(O)[C@H](N=C(O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@H](CCC(=N)O)N=C(O)[C@H](N=C(O)[C@H](C)N)[C@@H](O)C(C)C)[C@@H](O)C(=N)O)[C@@H](C)O)[C@@H](C)O
InChI: InChI=1S/C66H118N14O20/c1-17-19-20-21-22-23-39(28-44(84)73-45(31(5)6)59(92)78-50(66(99)100)53(86)33(9)10)70-60(93)46(37(14)81)74-57(90)41(26-30(3)4)72-58(91)42-27-34(11)29-80(42)65(98)47(38(15)82)75-62(95)49(54(87)55(69)88)77-63(96)51(35(12)18-2)79(16)64(97)40(24-25-43(68)83)71-61(94)48(52(85)32(7)8)76-56(89)36(13)67/h30-42,45-54,81-82,85-87H,17-29,67H2,1-16H3,(H2,68,83)(H2,69,88)(H,70,93)(H,71,94)(H,72,91)(H,73,84)(H,74,90)(H,75,95)(H,76,89)(H,77,96)(H,78,92)(H,99,100)/t34-,35+,36+,37-,38-,39-,40+,41-,42+,45+,46+,47+,48-,49-,50-,51+,52+,53+,54-/m1/s1
InChIKey: SDKDQGYLPSSDTQ-HRJBWAHDSA-N
Reference
Isolation and Synthesis of Laxaphycin B-Type Peptides: A Case Study and Clues to Their Biosynthesis
PubChem CID: 155802324
LOTUS: LTS0150349
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Anabaena torulosa | Anabaena | Nostocaceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 1427.7479999999996
TPSA？: 586.5600000000002
MolLogP？: 5.91394000000001
Number of H-Donors: 20
Number of H-Acceptors: 20
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|