Primary Record
Pradimicin S
- In stock
- 7,617 g
- Purity
- 99.2 %
- CAS
- 146446-02-8
Compound Identifiers & Properties
- CAS
- 146446-02-8
- PubChem CID
- 10079558
- SMILES
- C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)N[C@H](C)C(=O)O)C)O)C(=O)C6=C(C4=O)C(=CC(=C6)OC)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)OS(=O)(=O)O)O)NC
- Canonical SMILES
- CN[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2O)[C@@H](O)[C@H](O[C@H]2c3cc(C)c(C(=O)N[C@H](C)C(=O)O)c(O)c3-c3c(cc4c(c3O)C(=O)c3cc(OC)cc(O)c3C4=O)[C@@H]2O)O[C@@H]1C
Names & Synonyms
- Pradimicin S
- PradimicinS
- CHEMBL1673204
- SCHEMBL29356392
- SCHEMBL29711543
- C41H46N2O22S
- C41-H46-N2-O22-S
- CID 164465
- CID10079558
- J533.592B
- 146446-02-8
- (2R)-2-[[(5S,6S)-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfooxyoxan-2-yl]oxy-3-hydroxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid
- (2R)-2-{[(10S,11S)-10-{[(2S,3R,4S,5S,6R)-4-{[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(sulfooxy)oxan-2-yl]oxy}-3-hydroxy-6-methyl-5-(methylamino)oxan-2-yl]oxy}-2,5,11,17-tetrahydroxy-19-methoxy-7-methyl-15,22-dioxopentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),2,4,6,8,12,16,18,20-nonaen-6-yl]formamido}propanoic acid
- N-[[[(5S)-5alpha-[[4-Methylamino-3-O-(3-O-sulfo-beta-D-glucopyranosyl)-4,6-dideoxy-beta-D-galactopyranosyl]oxy]-5,6,8,13-tetrahydro-1,6beta,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo[a]naphthacen]-2-yl]carbonyl]-D-alanine