Paracelsin Peptides Paracelsin(cas 88526-44-7) is a peptide antibiotic from Trichoderma reesei Simmons. 1909.2 g/mol
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Formulation: 1909.2 g/mol
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Paracelsin - 88526-44-7

Paracelsin

The product is for non-human research only. Not for therapeutic or veterinary use.

Catalog Number: BT-242085

CAS Number: 88526-44-7

Molecular Formula: C88H145N23O24

Molecular Weight: 1909.2 g/mol

CAS Number 88526-44-7
Product Name Paracelsin
Molecular Formula C88H145N23O24
Molecular Weight 1909.2 g/mol
InChI InChI=1S/C88H145N23O24/c1-44(2)60(69(125)108-87(23,24)78(134)109-85(19,20)75(131)99-53(35-38-57(90)115)66(122)98-52(34-37-56(89)114)65(121)96-51(43-112)41-50-31-28-27-29-32-50)100-68(124)55-33-30-40-111(55)79(135)88(25,26)110-77(133)86(21,22)103-59(117)42-92-71(127)80(9,10)107-70(126)61(45(3)4)101-76(132)84(17,18)106-67(123)54(36-39-58(91)116)97-62(118)46(5)93-73(129)82(13,14)104-64(120)48(7)95-74(130)83(15,16)105-63(119)47(6)94-72(128)81(11,12)102-49(8)113/h27-29,31-32,44-48,51-55,60-61,112H,30,33-43H2,1-26H3,(H2,89,114)(H2,90,115)(H2,91,116)(H,92,127)(H,93,129)(H,94,128)(H,95,130)(H,96,121)(H,97,118)(H,98,122)(H,99,131)(H,100,124)(H,101,132)(H,102,113)(H,103,117)(H,104,120)(H,105,119)(H,106,123)(H,107,126)(H,108,125)(H,109,134)(H,110,133)/t46-,47-,48-,51?,52-,53-,54-,55-,60-,61-/m0/s1
InChI Key BTEMFPRMBHUSHB-PKESLDLMSA-N
Isomeric SMILES C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C)(C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)NCC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)NC(CC2=CC=CC=C2)CO)NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)C
IUPAC Name (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[(2-acetamido-2-methylpropanoyl)amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-N-[1-[[(2S)-1-[[1-[[2-[[1-[[1-[(2S)-2-[[(2S)-1-[[1-[[1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]pentanediamide
Canonical SMILES CC(C)C(C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CC1=CC=CC=C1)CO)NC(=O)C2CCCN2C(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)CNC(=O)C(C)(C)NC(=O)C(C(C)C)NC(=O)C(C)(C)NC(=O)C(CCC(=O)N)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C
Description Paracelsin(cas 88526-44-7) is a peptide antibiotic from Trichoderma reesei Simmons.
Sequence XAXAXAQXVXGXXPVXXQQF
SMILES CC(C)C(C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CC1=CC=CC=C1)CO)NC(=O)C2CCCN2C(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)CNC(=O)C(C)(C)NC(=O)C(C(C)C)NC(=O)C(C)(C)NC(=O)C(CCC(=O)N)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C
Synonyms paracelsin
paracelsin A
Reference 1: Lork DK, Unger KK, Brückner H, Hearn MT. Retention behaviour of paracelsin peptides on reversed-phase silicas with varying n-alkyl chain length and ligand density. J Chromatogr. 1989 Aug 4;476:135-45. PubMed PMID: 2777969. 2: Brückner H, Graf H, Bokel M. Paracelsin; characterization by NMR spectroscopy and circular dichroism, and hemolytic properties of a peptaibol antibiotic from the cellulolytically active mold Trichoderma reesei. Part B. Experientia. 1984 Nov 15;40(11):1189-97. PubMed PMID: 6500005. 3: Pócsfalvi G, Ritieni A, Ferranti P, Randazzo G, Vékey K, Malorni A. Microheterogeneity characterization of a paracelsin mixture from Trichoderma reesei using high-energy collision-induced dissociation tandem mass spectrometry. Rapid Commun Mass Spectrom. 1997;11(8):922-30. PubMed PMID: 9183858. 4: Brückner H, Graf H. Paracelsin, a peptide antibiotic containing alpha-aminoisobutyric acid, isolated from Trichoderma reesei Simmons. Part A. Experientia. 1983 May 15;39(5):528-30. PubMed PMID: 6406260. 5: Jones DT, Moody CM, Uppenbrink J, Viles JH, Doyle PM, Harris CJ, Pearl LH, Sadler PJ, Thornton JM. Towards meeting the Paracelsus Challenge: The design, synthesis, and characterization of paracelsin-43, an alpha-helical protein with over 50% sequence identity to an all-beta protein. Proteins. 1996 Apr;24(4):502-13. PubMed PMID: 8859998.
PubChem Compound Paracelsin
Last Modified Apr 13 2022