Akashin B

AlkaPlorer ID: AK328033

Synonym: None

IUPAC Name: N-[(2R,3S,4S,5R,6S)-6-[5-chloro-2-(5-chloro-3-oxoindol-2-yl)-3-hydroxyindol-1-yl]-4,5-dihydroxy-2-methyloxan-3-yl]acetamide

Structure

SMILES: CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](N2C(C3=NC4=CC=C(Cl)C=C4C3=O)=C(O)C3=CC(Cl)=CC=C32)O[C@@H]1C

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InChI: InChI=1S/C24H21Cl2N3O6/c1-9-17(27-10(2)30)22(33)23(34)24(35-9)29-16-6-4-12(26)8-14(16)21(32)19(29)18-20(31)13-7-11(25)3-5-15(13)28-18/h3-9,17,22-24,32-34H,1-2H3,(H,27,30)/t9-,17-,22+,23-,24+/m1/s1

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InChIKey: GDDCIFUYTHWXSY-SAIARUEOSA-N

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Source

Properties Information

Molecule Weight: 518.3530000000002

TPSA: 133.38000000000002

MolLogP: 3.114600000000001

Number of H-Donors: 4

Number of H-Acceptors: 8

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information