A-54145A1
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| Category | Antibiotics |
| Catalog number | BBF-03154 |
| CAS | 129804-73-5 |
| Molecular Weight | 1644.73 |
| Molecular Formula | C72H109N17O27 |
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Description
A-54145A1 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 | Antibiotic A 54145A1; A-54145 A1 |
| 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]-6-(2-carboxyethyl)-15-[(R)-carboxy(methoxy)methyl]-21-(carboxymethyl)-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)-2-(decanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoic acid |
| Canonical SMILES | CCCCCCCCCC(=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)CCC(=O)O)C(C)CC)C |
| InChI | InChI=1S/C72H109N17O27/c1-8-10-11-12-13-14-15-23-48(91)79-44(29-38-32-76-40-21-17-16-20-39(38)40)65(106)82-43(25-27-52(96)97)64(105)87-56(58(100)60(75)101)69(110)86-55-37(5)116-72(114)54(35(3)9-2)85-63(104)42(24-26-51(94)95)83-66(107)45(30-47(74)90)80-49(92)33-77-68(109)57(59(115-7)71(112)113)88-62(103)41(22-18-19-28-73)81-67(108)46(31-53(98)99)84-61(102)36(4)78-50(93)34-89(6)70(55)111/h16-17,20-21,32,35-37,41-46,54-59,76,100H,8-15,18-19,22-31,33-34,73H2,1-7H3,(H2,74,90)(H2,75,101)(H,77,109)(H,78,93)(H,79,91)(H,80,92)(H,81,108)(H,82,106)(H,83,107)(H,84,102)(H,85,104)(H,86,110)(H,87,105)(H,88,103)(H,94,95)(H,96,97)(H,98,99)(H,112,113)/t35-,36-,37+,41+,42-,43+,44-,45+,46-,54-,55-,56-,57-,58+,59+/m0/s1 |
| InChI Key | FHVNZVVZQZCWNH-VLTLAPJDSA-N |
Properties
| Appearance | Powder |
| Antibiotic Activity Spectrum | Gram-positive bacteria |
| Boiling Point | 2052.0±65.0°C at 760 mmHg |
| Density | 1.4±0.1 g/cm3 |
| Solubility | Soluble in DMSO, Methanol, DMF, Water |
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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 ╳
