SQ-02-S-L2

AlkaPlorer ID: AK042728

Synonym: None

IUPAC Name: 6-[(1S,13R,14S,17S,19S)-19-acetyloxy-10-hydroxy-13,14,18,18-tetramethyl-7-oxo-2-oxa-6-azapentacyclo[11.8.0.01,17.03,11.04,8]henicosa-3,8,10-trien-6-yl]-2-aminohexanoic acid

Structure

SMILES: CC(=O)O[C@H]1CC[C@@]23OC4=C5CN(CCCCC(N)C(=O)O)C(=O)C5=CC(O)=C4C[C@]2(C)[C@@H](C)CC[C@H]3C1(C)C

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InChI: InChI=1S/C31H44N2O7/c1-17-9-10-24-29(3,4)25(39-18(2)34)11-12-31(24)30(17,5)15-20-23(35)14-19-21(26(20)40-31)16-33(27(19)36)13-7-6-8-22(32)28(37)38/h14,17,22,24-25,35H,6-13,15-16,32H2,1-5H3,(H,37,38)/t17-,22?,24-,25-,30+,31-/m0/s1

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InChIKey: LHSJSAOGNVDOMR-VTYVEQPFSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Stachybotrys sp. Stachybotrys Stachybotryaceae Hypocreales Sordariomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 556.7000000000003

TPSA: 139.39

MolLogP: 4.408000000000003

Number of H-Donors: 3

Number of H-Acceptors: 7

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information