| 2D Structure | |
| CID | 14969 |
| IUPAC Name | (1S,2R,18R,19R,22S,25R,28R,40S)-48-[(2S,3R,4S,5S,6R)-3-[(2S,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid |
| InChI | InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24-,34+,35-,42+,44-,46+,47+,48-,49+,50-,51+,52+,53+,54-,56+,57+,65-,66-/m0/s1 |
| InChI Key | MYPYJXKWCTUITO-LYRMYLQWSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C66H75Cl2N9O24 |
| Molecular Weight | 1449.2 |
| synonyms | ['VANCOMYCIN', '1404-90-6', 'Vancomicina', 'Vancomycine', 'Vancomycinum', '6Q205EH1VU', 'DTXSID0042664', 'CHEBI:28001', 'Vancocin HCL', 'Vancomycin Lilly', 'Sulfate, Vancomycin', 'RefChem:6345', 'A07AA09', 'J01XA01', 'S01AA28', 'DTXCID401031367', '215-772-6', '(1S,2R,18R,19R,22S,25R,28R,40S)-48-(((2S,3R,4S,5S,6R)-3-(((2S,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)-22-(carbamoylmethyl)-5,47-dichloro-2,18,32,35,37-pentahydroxy-19-((2R)-4-methyl-2-(methylamino)pentanamido)-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo(26.14.2.23,6.214,17.18,12.129,33.010,25.034,39)pentaconta-3,5,8,10,12(48),14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid', '(1S,2R,18R,19R,22S,25R,28R,40S)-48-((2S,3R,4S,5S,6R)-3-((2S,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-(((2R)-4-methyl-2-(methylamino)pentanoyl)amino)-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo(26.14.2.23,6.214,17.18,12.129,33.010,25.034,39)pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid', 'Vancocine', 'Vancomycin EP Impurity I', 'CHEMBL262777', 'MFCD05664587', 'C66H75Cl2N9O24', 'Vancomycin ( >85%)', 'Vancomycin (USP)', 'Vancomycine [INN-French]', 'Vancomycinum [INN-Latin]', 'Vancomicina [INN-Spanish]', 'HSDB 3262', 'EINECS 215-772-6', 'vancomicin', 'vanomycin', 'UNII-6Q205EH1VU', 'Vancomycin [USP:INN:BAN]', 'Vancomycin hydrochloride from Streptomyces orientalis', 'Viomycin derivative', '[(2S,3R,4S,5S,6R)-3-[(2S,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-(2-amino-2-oxo-ethyl)-dichloro-pentahydroxy-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-pentaoxo-[?]carboxylic acid', 'Vancomycin Impurity M', 'Vancomycin (Standard)', 'Glycopeptide Antibiotic', 'C06689', 'D00212', 'VANCOMYCIN [MI]', 'VANCOMYCIN [INN]', 'Prestwick0_000497', 'Prestwick1_000497', 'Prestwick2_000497', 'VANCOMYCIN [HSDB]', 'SCHEMBL3177', 'VANCOMYCIN [MART.]', 'VANCOMYCIN [WHO-DD]', 'Chloroorienticin B derivative', 'Lopac0_001267', 'N-demethylvancomycin derivative', 'SPBio_002314', 'orb1298753', 'CHEMBL3735877', 'SCHEMBL25297175', 'SCHEMBL29359312', 'SCHEMBL29360808', 'VANCOMYCIN [ORANGE BOOK]', 'GTPL10932', 'HY-B0671R', 'VANCOMYCIN [USP IMPURITY]', 'VANCOMYCIN [USP MONOGRAPH]', 'HY-B0671', 'MSK14018', 'BDBM50335519', 's5784', 'AKOS030526092', 'CCG-205340', 'CS-3242', 'DB00512', 'SDCCGSBI-0051233.P002', 'NCGC00162383-04', 'NCGC00162383-11', 'FV152644', 'SY389052', 'NS00001544', '4-Naphthalen-2-ylmethyl-4,5-dihydro-1H-imidazole', 'Q424027', 'SR-01000076194-5', 'BRD-K91065602-001-01-8', 'BRD-K91065602-003-04-8', 'BRD-K91065602-003-05-5', '(2.2Sp,3.5Sa,2.6Sp)-O4.2,C3.4:C5.4,O4.6:C3.5,C2.7-tricyclo[N-methyl-D-leucyl-3-chloro-(R)-beta-hydroxy-D-tyrosyl-L-asparaginyl-D-2-(4-{[2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-lyxo-hexopyranosyl)-beta-D-glucopyranosyl]oxy}phenyl)glycyl-D-2-(4-hydroxyphenyl)glycyl-3-chloro-(R)-beta-hydroxy-L-tyrosyl-L-2-(3,5-dihydroxyphenyl)glycine]', '(S)-3,6-Diamino-hexanoic acid {(3S,9S,12S,15S)-3-((S)-6-hydroxy-2-imino-hexahydro-pyrimidin-4-yl)-9,12-bis-hydroxymethyl-2,5,8,11,14-pentaoxo-6-[1-ureido-meth-(Z)-ylidene]-1,4,7,10,13pentaaza-cyclohexadec-15-yl}-amide'] |
From Pubchem