A-54145D
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| Category | Antibiotics |
| Catalog number | BBF-03158 |
| CAS | 129804-77-9 |
| Molecular Weight | 1658.76 |
| Molecular Formula | C73H111N17O27 |
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Description
A-54145D 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 D |
| 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)-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)CCC(=O)O)C(C)CC)C |
| InChI | InChI=1S/C73H111N17O27/c1-9-35(3)19-13-11-12-14-23-49(92)80-45(29-39-32-77-41-21-16-15-20-40(39)41)66(107)83-44(25-27-53(97)98)65(106)88-57(59(101)61(76)102)70(111)87-56-38(6)117-73(115)55(36(4)10-2)86-64(105)43(24-26-52(95)96)84-67(108)46(30-48(75)91)81-50(93)33-78-69(110)58(60(116-8)72(113)114)89-63(104)42(22-17-18-28-74)82-68(109)47(31-54(99)100)85-62(103)37(5)79-51(94)34-90(7)71(56)112/h15-16,20-21,32,35-38,42-47,55-60,77,101H,9-14,17-19,22-31,33-34,74H2,1-8H3,(H2,75,91)(H2,76,102)(H,78,110)(H,79,94)(H,80,92)(H,81,93)(H,82,109)(H,83,107)(H,84,108)(H,85,103)(H,86,105)(H,87,111)(H,88,106)(H,89,104)(H,95,96)(H,97,98)(H,99,100)(H,113,114)/t35?,36-,37-,38+,42+,43-,44+,45-,46+,47-,55-,56-,57-,58-,59+,60+/m0/s1 |
| InChI Key | VUWZKXRXFYKBQS-JWVPKTLISA-N |
Properties
| Appearance | Powder |
| Antibiotic Activity Spectrum | Gram-positive bacteria |
| 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 ╳
