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Substance Name: Psma-hbed-CC
RN: 1366302-52-4
UNII: 9AG41L3AOQ
InChIKey: QJUIUFGOTBRHKP-LQJZCPKCSA-N

Molecular Formula

  • C44-H62-N6-O17

Molecular Weight

  • 946.9988
 
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Names and Synonyms

Name of Substance

  • Psma-hbed-CC

Synonyms

  • (3S,7S)-22-(3-(((2-((5-(2-Carboxyethyl)-2-hydroxybenzyl)(carboxymethyl)amino)ethyl)(carboxymethyl)amino)methyl)-4-hydroxyphenyl)-5,13,20-trioxo-4,6,12,19-tetraazadocosane-1,3,7-tricarboxylic acid
  • Psma-hbed-CC
  • UNII-9AG41L3AOQ

Registry Numbers

CAS Registry Number

  • 1366302-52-4

FDA UNII

  • 9AG41L3AOQ

System Generated Number

  • 1366302524

Structure Descriptors

InChI

1S/C44H62N6O17/c51-34-13-8-28(22-30(34)24-49(26-40(59)60)20-21-50(27-41(61)62)25-31-23-29(9-14-35(31)52)11-16-38(55)56)10-15-37(54)46-18-4-1-2-7-36(53)45-19-5-3-6-32(42(63)64)47-44(67)48-33(43(65)66)12-17-39(57)58/h8-9,13-14,22-23,32-33,51-52H,1-7,10-12,15-21,24-27H2,(H,45,53)(H,46,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H2,47,48,67)/t32-,33-/m0/s1

InChIKey

QJUIUFGOTBRHKP-LQJZCPKCSA-N

Smiles

OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)CCc1ccc(O)c(CN(CCN(CC(=O)O)Cc2cc(CCC(=O)O)ccc2O)CC(=O)O)c1)C(=O)O)C(=O)O