Metabolites-BOC Sciences

Actagardin

Actagardin - CAS 59165-34-3

Catalog number: BBF-04201

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Catalog Number BBF-04201
CAS 59165-34-3
Description It is a peptide antibiotic produced by several species of actinoplanes. It has the activity against Gram-positive and Gram-negative bacteria. It inhibits the biosynthesis of peptidoglycan.
Molecular Formula C81H132N20O23
Molecular Weight 1754.03
Antibiotic Activity Spectrum Gram-positive bacteria; Gram-negative bacteria
Synonyms Actagardine; Antibiotic A 3802-IV-3; Gardimycin; D-Cysteinyl-L-serylglycyl-L-tryptophyl-L-valyl-L-cysteinyl-(2S,3S)-2-amino-3-mercaptobutanoyl-L-leucyl-(2S,3S)-2-amino-3-mercaptobutanoyl-L-isoleucyl-L-α-glutamyl-L-cysteinylglycyl-(2S,3S)-2-amino-3-mercaptobutanoyl-L-valyl-L-isoleucyl-L-cysteinyl-L-alanyl-L-cysteine S14-Oxide; H-D-Ala-Leu-D-Abu-Ile-D-Glu-D-Abu-D-Ala-Val-D-Trp-Gly-D-Ser-D-Ala-Gly-D-Abu-Val-Ile-D-Ala-Ala-D-Ala-OH
IUPAC Name (4R)-4-[[(2S,3S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoyl]amino]butanoyl]amino]-3-methylpentanoyl]amino]-5-[[(2R)-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[2-[[(2R)-1-[[(2R)-1-[[2-[[(2R)-1-[[(2S)-1-[[(2S,3S)-1-[[(2R)-1-[[(2S)-1-[[(1R)-1-carboxyethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
Canonical SMILES CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(CC)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NCC(=O)NC(CO)C(=O)NC(C)C(=O)NCC(=O)NC(CC)C(=O)NC(C(C)C)C(=O)NC(C(C)CC)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)O)NC(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)C(C)N
InChI InChI=1S/C81H132N20O23/c1-20-40(12)63(79(121)89-45(17)67(109)86-44(16)68(110)90-47(19)81(123)124)101-78(120)62(39(10)11)99-72(114)50(22-3)91-58(103)34-84-66(108)43(15)87-76(118)57(36-102)92-59(104)35-85-70(112)56(32-48-33-83-53-28-26-25-27-49(48)53)97-77(119)61(38(8)9)98-69(111)46(18)88-71(113)51(23-4)93-74(116)54(29-30-60(105)106)95-80(122)64(41(13)21-2)100-73(115)52(24-5)94-75(117)55(31-37(6)7)96-65(107)42(14)82/h25-28,33,37-47,50-52,54-57,61-64,83,102H,20-24,29-32,34-36,82H2,1-19H3,(H,84,108)(H,85,112)(H,86,109)(H,87,118)(H,88,113)(H,89,121)(H,90,110)(H,91,103)(H,92,104)(H,93,116)(H,94,117)(H,95,122)(H,96,107)(H,97,119)(H,98,111)(H,99,114)(H,100,115)(H,101,120)(H,105,106)(H,123,124)/t40-,41-,42+,43+,44-,45+,46+,47+,50+,51+,52+,54+,55-,56+,57+,61-,62-,63-,64-/m0/s1
InChI Key LAWKVNVCUPIOMG-HWWYPGLISA-N
Boiling Point 2194.7±65.0°C (Predicted)
Purity >98% by HPLC
Density 1.42±0.1 g/cm3 (Predicted)
Solubility Soluble in Ethanol, Methanol, DMF, DMSO; Poorly soluble in Water
Appearance White to Off-white Solid
Storage Store at -20°C
Sequence ALXIEXAVWGSAGXVIAAA
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