Primary Record
Nocathiacin I
- In stock
- 8,687 g
- Purity
- 99.1 %
- CAS
- 214044-52-7
Compound Identifiers & Properties
- CAS
- 214044-52-7
- PubChem CID
- 16142519
- SMILES
- C[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@H]2[C@@H]3[C@H]4C5=NC(=CS5)C(=O)N[C@@H](COC(=O)C6=C(CO3)C7=C(COC2=O)C=CC=C7N6O)C8=NC(=CS8)C9=NC(=C(C=C9C1=NC(=CS1)C(=O)N[C@H](C(=O)N/C(=C(\C)/OC)/C1=NC(=CS1)C(=O)N4)[C@@H](C)O)O)C1=NC(=CS1)C(=O)NC(=C)C(=O)N)(C)O)N(C)C
- Canonical SMILES
- C=C(NC(=O)c1csc(-c2nc3c(cc2O)-c2nc(cs2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N/C(=C(\C)OC)c2nc(cs2)C(=O)N[C@@H]2c4nc(cs4)C(=O)N[C@@H](COC(=O)c4c5c6c(cccc6n4O)COC(=O)[C@@H](O[C@H]4C[C@](C)(O)[C@H](N(C)C)[C@H](C)O4)[C@H]2OC5)c2nc-3cs2)n1)C(N)=O
Names & Synonyms
- Nocathiacin I
- Nocathiacine I
- RefChem:166299
- CHEMBL263049
- DTXSID301028319
- orb3023988
- SCHEMBL29626725
- CHEBI:222348
- DTXCID301513899
- MJ347-81F4 A
- J1.749.700F
- 214044-52-7
- (6S,19S,31S,32S,33S)-3-[(E)-1-Methoxyethylidene]-6-[(R)-1-hydroxyethyl]-13,14-[2-hydroxy-3-[4-(1-carbamoylethenylcarbamoyl)-2-thiazolyl]-4-aza-1,3-butadiene-1,4-diyl]-19,33-[iminocarbonyl(thiazole-4,2-diyl)]-32,42-(oxymethylene)-24-hydroxy-31-[3-C-methyl-4-(dimethylamino)-2,4,6-trideoxy-alpha-L-lyxo-hexopyranosyloxy]-9,12:15,18:36,2-triepinitrilo-26,23-metheno-27,25-[1]propene[1]yl[3]ylidene-21,29-dioxa-1,11,17-trithia-4,7,24,34-tetraazacycloheptatriacontane-9,13,15,26,36-pentaene-5,8,22,30,35-pentaone
- 2-({2-[(1S,18S,21E,28S,29S,30S)-30-{[(2S,4S,5R,6S)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy}-9,52-dihydroxy-18-[(1R)-1-hydroxyethyl]-21-(1-methoxyethylidene)-16,19,26,31,42,46-hexaoxo-32,43,54-trioxa-3,13,23,49-tetrathia-7,17,20,27,45,51,52,55,56,57-decaazadecacyclo[26.16.6.229,40.12,5.112,15.122,25.138,41.147,50.06,11.034,39]heptapentaconta-2(57),4,6,8,10,12(56),14,22(55),24,34(39),35,37,40,47,50-pentadecaen-8-yl]-1,3-thiazol-4-yl}formamido)prop-2-enamide
- N'-(2-((1S,18S,21E,28S,29S,30S)-30-((2S,4S,5R,6S)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-9,52-dihydroxy-18-((1R)-1-hydroxyethyl)-21-(1-methoxyethylidene)-16,19,26,31,42,46-hexaoxo-32,43,54-trioxa-3,13,23,49-tetrathia-7,17,20,27,45,51,52,55,56,57-decazadecacyclo(26.16.6.229,40.12,5.112,15.122,25.138,41.147,50.06,11.034,39)heptapentaconta-2(57),4,6,8,10,12(56),14,22(55),24,34(39),35,37,40,47,50-pentadecaen-8-yl)-1,3-thiazole-4-carbonyl)oxamide
- N-(1-carbamoylvinyl)-2-[(E)-[(2S,4S,5R,6S)-5-(dimethylamino)-4-hydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-dihydroxy-[(1R)-1-hydroxyethyl]-(1-methoxyethylidene)-hexaoxo-[?]yl]thiazole-4-carboxamide
- N-(3-amino-3-oxoprop-1-en-2-yl)-2-[(1S,18S,21E,28S,29S,30S)-30-[(2S,4S,5R,6S)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-9,52-dihydroxy-18-[(1R)-1-hydroxyethyl]-21-(1-methoxyethylidene)-16,19,26,31,42,46-hexaoxo-32,43,54-trioxa-3,13,23,49-tetrathia-7,17,20,27,45,51,52,55,56,57-decazadecacyclo[26.16.6.229,40.12,5.112,15.122,25.138,41.147,50.06,11.034,39]heptapentaconta-2(57),4,6,8,10,12(56),14,22(55),24,34(39),35,37,40,47,50-pentadecaen-8-yl]-1,3-thiazole-4-carboxamide