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CAS 99313-73-2

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3-[24-amino-6-(2-amino-2-oxoethyl)-12,18-bis(3-aminopropyl)-5-hydroxy-21-(hydroxymethyl)-9,15-bis(1-methylethyl)-3,8,11,14,17,20,23-heptaoxo-2-oxa-7,10,13,16,19,22-hexaazapentacos-1-yl]-7-[(5-amino-5-carboxypentanoyl)amino]-7-methoxy-8-oxo-5-thia-1-azabic

Description:
The chemical substance with the name "3-[24-amino-6-(2-amino-2-oxoethyl)-12,18-bis(3-aminopropyl)-5-hydroxy-21-(hydroxymethyl)-9,15-bis(1-methylethyl)-3,8,11,14,17,20,23-heptaoxo-2-oxa-7,10,13,16,19,22-hexaazapentacos-1-yl]-7-[(5-amino-5-carboxypentanoyl)amino]-7-methoxy-8-oxo-5-thia-1-azabic" and CAS number "99313-73-2" is a complex organic compound characterized by a large molecular structure featuring multiple functional groups, including amino, hydroxy, and carboxyl groups. This compound is likely to exhibit significant biological activity due to its intricate arrangement of nitrogen and oxygen atoms, which may facilitate interactions with biological macromolecules. The presence of thia and azabicyclic structures suggests potential applications in medicinal chemistry, possibly as a pharmaceutical agent or a biochemical probe. Its hexaazapentacos backbone indicates a high degree of nitrogen content, which may influence its solubility and reactivity. Overall, this compound's unique structural features may contribute to its potential utility in various chemical and biological applications, although specific properties such as solubility, stability, and reactivity would require empirical investigation.
Formula:C47H79N13O18S
InChI:InChI=1/C47H79N13O18S/c1-21(2)34(57-38(67)26(11-8-14-48)53-40(69)29(18-61)56-37(66)23(5)50)41(70)54-27(12-9-15-49)39(68)58-35(22(3)4)42(71)55-28(16-31(52)63)30(62)17-33(65)78-19-24-20-79-46-47(77-6,45(76)60(46)36(24)44(74)75)59-32(64)13-7-10-25(51)43(72)73/h21-23,25-30,34-35,46,61-62H,7-20,48-51H2,1-6H3,(H2,52,63)(H,53,69)(H,54,70)(H,55,71)(H,56,66)(H,57,67)(H,58,68)(H,59,64)(H,72,73)(H,74,75)
InChI key:FGXDXPRKJSRQLP-UHFFFAOYSA-N
SMILES:CC(C)C(C(=O)NC(CCCN)C(=O)NC(C(C)C)C(=O)NC(CC(=O)N)C(CC(=O)OCC1=C(N2C(C(C2=O)(NC(=O)CCCC(C(=O)O)N)OC)SC1)C(=O)O)O)NC(=O)C(CCCN)NC(=O)C(CO)NC(=O)C(C)N
Synonyms:
  • Cephabacin M6
  • 3-[[6-amino-4-[[2-[[5-amino-2-[[2-[[5-amino-2-[[2-(2-aminopropanoylamino)-3-hydroxypropanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-6-oxohexanoyl]oxymethyl]-7-[(5-amino-5-carboxypentanoyl)amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • Cephabacin M(sub 6)
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