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Substance Name: Pseudomycin A
RN: 139203-13-7
InChIKey: XDPWWEOIDYYUDN-HCEIJDMSSA-N

Molecular Weight

  • 1223.7653
 
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Names and Synonyms

Name of Substance

  • Pseudomycin A

Synonym

  • N-(3,4-Dihydroxy-1-oxotetradecyl)-seryl-2,4-diaminobutanoyl-alpha-aspartyl-lysyl-2,4-diaminobutanoyl-allothreonyl-2,3-didehydro-2-aminobutanoyl-threo-3-hydroxy-alpha-aspartyl-4-chloro-threonine, beta1-lactone

Systematic Name

  • Pseudomycin A

Registry Numbers

CAS Registry Number

  • 139203-13-7

System Generated Number

  • 0139203137

Structure Descriptors

InChI

1S/C51H87ClN12O20/c1-4-6-7-8-9-10-11-12-16-33(66)34(67)23-36(69)56-32-25-84-51(83)39(35(68)24-52)63-49(80)40(41(72)50(81)82)64-42(73)27(5-2)57-48(79)38(26(3)65)62-45(76)30(18-21-55)59-43(74)28(15-13-14-19-53)58-46(77)31(22-37(70)71)61-44(75)29(17-20-54)60-47(32)78/h5,26,28-35,38-41,65-68,72H,4,6-25,53-55H2,1-3H3,(H,56,69)(H,57,79)(H,58,77)(H,59,74)(H,60,78)(H,61,75)(H,62,76)(H,63,80)(H,64,73)(H,70,71)(H,81,82)/b27-5-

InChIKey

XDPWWEOIDYYUDN-HCEIJDMSSA-N

Smiles

CCCCCCCCCCC(C(CC(=O)NC1COC(=O)C(NC(=O)C(NC(=O)/C(=C/C)/NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCN)CC(=O)O)CCCCN)CCN)C(C)O)C(C(=O)O)O)C(CCl)O)O)O