Cusperin B

AlkaPlorer ID: AK005391

Synonym: None

IUPAC Name: (2S)-N-(2-amino-2-oxoethyl)-1-[(E,3R)-3-hydroxy-6-[[(2S)-2-hydroxy-2-[(2R,5R,6R)-2-hydroxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetyl]amino]-2,4-dimethylhex-5-enoyl]pyrrolidine-2-carboxamide

Structure

SMILES: C=C1C[C@](O)([C@H](O)C(O)=N/C=C/C(C)[C@@H](O)C(C)C(=O)N2CCC[C@H]2C(O)=NCC(=N)O)O[C@H](C)[C@@H]1C

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InChI: InChI=1S/C25H40N4O8/c1-13(8-9-27-23(34)21(32)25(36)11-14(2)15(3)17(5)37-25)20(31)16(4)24(35)29-10-6-7-18(29)22(33)28-12-19(26)30/h8-9,13,15-18,20-21,31-32,36H,2,6-7,10-12H2,1,3-5H3,(H2,26,30)(H,27,34)(H,28,33)/b9-8+/t13?,15-,16?,17-,18+,20-,21-,25-/m1/s1

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InChIKey: FRVCGSZIVNIXOO-GYXPDKRDSA-N

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Source

Properties Information

Molecule Weight: 524.6150000000004

TPSA: 199.49

MolLogP: 1.6230700000000002

Number of H-Donors: 7

Number of H-Acceptors: 8

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information