A-54145E
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| Category | Antibiotics |
| Catalog number | BBF-03159 |
| CAS | 129804-78-0 |
| Molecular Weight | 1672.78 |
| Molecular Formula | C74H113N17O27 |
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Description
A-54145E is an ester peptide antibiotic produced by Streptomyces fradiae. It has anti-Gram-positive bacteria activity with an MIC of 0.25-32 μg/mL.
Specification
| Synonyms | A-54145 E |
| IUPAC Name | (4R)-5-[[(2S,3R)-4-amino-1-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-18-(4-aminobutyl)-9-(2-amino-2-oxoethyl)-3-[(2S)-butan-2-yl]-15-[(R)-carboxy(methoxy)methyl]-21-(carboxymethyl)-6-[(2R)-1-carboxypropan-2-yl]-24,28,31-trimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonazacyclohentriacont-30-yl]amino]-3-hydroxy-1,4-dioxobutan-2-yl]amino]-4-[[(2S)-3-(1H-indol-3-yl)-2-(8-methyldecanoylamino)propanoyl]amino]-5-oxopentanoic acid |
| Canonical SMILES | CCC(C)CCCCCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCC(=O)O)C(=O)NC(C(C(=O)N)O)C(=O)NC3C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CN(C3=O)C)C)CC(=O)O)CCCCN)C(C(=O)O)OC)CC(=O)N)C(C)CC(=O)O)C(C)CC)C |
| InChI | InChI=1S/C74H113N17O27/c1-10-35(3)20-14-12-13-15-24-49(93)81-45(29-40-32-78-42-22-17-16-21-41(40)42)66(107)84-44(25-26-52(96)97)65(106)89-58(60(102)62(77)103)71(112)88-57-39(7)118-74(116)56(36(4)11-2)87-70(111)55(37(5)28-53(98)99)86-68(109)46(30-48(76)92)82-50(94)33-79-69(110)59(61(117-9)73(114)115)90-64(105)43(23-18-19-27-75)83-67(108)47(31-54(100)101)85-63(104)38(6)80-51(95)34-91(8)72(57)113/h16-17,21-22,32,35-39,43-47,55-61,78,102H,10-15,18-20,23-31,33-34,75H2,1-9H3,(H2,76,92)(H2,77,103)(H,79,110)(H,80,95)(H,81,93)(H,82,94)(H,83,108)(H,84,107)(H,85,104)(H,86,109)(H,87,111)(H,88,112)(H,89,106)(H,90,105)(H,96,97)(H,98,99)(H,100,101)(H,114,115)/t35?,36-,37+,38-,39+,43+,44+,45-,46+,47-,55-,56-,57-,58-,59-,60+,61+/m0/s1 |
| InChI Key | PULXIWZYVCSTMS-PERFNXGSSA-N |
Properties
| Antibiotic Activity Spectrum | Gram-positive bacteria |
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Bio Calculators
* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2
* Total Molecular Weight:
g/mol
Tip: Chemical formula is case sensitive. C22H30N4O √ c22h30n40 ╳
