Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Polymyxin B sulfate / Chloromyxin 1405-20-5 3083708

Structure Other Information
Canonical SMILES CC(C)CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC=CC=C2)CCN)NC(=O)C(CCN)NC(=O)C(CCO)NC(=O)C(CCN)NC=O)CCO)CCN)CCN.OS(=O)(=O)O
Iso SMILES CC(C)CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC=CC=C2)CCN)NC(=O)C(CCN)NC(=O)C(CCO)NC(=O)C(CCN)NC=O)CCO)CCN)CCN.OS(=O)(=O)O
InChI InChI=1S/C48H82N16O13.H2O4S/c1-27(2)24-37-47(76)59-32(11-19-52)41(70)56-31(10-18-51)43(72)61-35(14-22-65)39(68)54-21-13-34(45(74)57-33(12-20-53)44(73)64-38(48(77)63-37)25-28-6-4-3-5-7-28)60-42(71)30(9-17-50)58-46(75)36(15-23-66)62-40(69)29(8-16-49)55-26-67;1-5(2,3)4/h3-7,26-27,29-38,65-66H,8-25,49-53H2,1-2H3,(H,54,68)(H,55,67)(H,56,70)(H,57,74)(H,58,75)(H,59,76)(H,60,71)(H,61,72)(H,62,69)(H,63,77)(H,64,73);(H2,1,2,3,4)
InChI Key HNDFYNOVSOOGDU-UHFFFAOYSA-N
Formula C48H84N16O17S
Mol Weight 1189.34
XlogP3 0
Charge 0

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Synonyms Information
CAS Name 4-amino-N-[1-[[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-3-(2-hydroxyethyl)-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-15-(phenylmethyl)-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-4-hydroxy-1-oxobutan-2-yl]-2-formamidobutanamide; sulfuric acid
IUPAC Name 4-amino-N-[1-[[3-amino-1-[[6,9,18-tris(2-aminoethyl)-15-benzyl-3-(2-hydroxyethyl)-12-isobutyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]carbamoyl]propyl]carbamoyl]-3-hydroxy-propyl]-2-formamido-butanamide; sulfuric acid
Openeye Name 4-amino-N-[1-[[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-15-benzyl-3-(2-hydroxyethyl)-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-4-hydroxy-1-oxobutan-2-yl]-2-formamidobutanamide; sulfuric acid
Systematic Name 4-azanyl-N-[1-[[4-azanyl-1-oxidanylidene-1-[[6,9,18-tris(2-azanylethyl)-3-(2-hydroxyethyl)-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptakis(oxidanylidene)-15-(phenylmethyl)-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-4-oxidanyl-1-oxidanylidene-butan-2-yl]-2-formamido-butanamide; sulfuric acid
Tratitional Name 4-azanyl-N-[1-[[4-azanyl-1-oxidanylidene-1-[[6,9,18-tris(2-azanylethyl)-3-(2-hydroxyethyl)-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptakis(oxidanylidene)-15-(phenylmethyl)-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-4-oxidanyl-1-oxidanylidene-butan-2-yl]-2-formamido-butanamide; sulfuric acid