N-(2-amino-3-(4-isothiocyanatophenyl)propyl)cyclohexane-1,2-diamine-N,N/',N/',N/'/',N/'/'-pentaaceti

For research use only. Not for therapeutic Use.

  • CAT Number: M095517
  • CAS Number: 142434-84-2
  • Molecular Formula: C26H34N4O10S
  • Molecular Weight: 594.636
  • Purity: ≥95%
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Catalog Number M095517
CAS Number 142434-84-2
Synonyms

N-(2-amino-3-(4-isothiocyanatophenyl)propyl)cyclohexane-1,2-diamine-N,N/’,N/’,N/’/’,N/’/’-pentaacetic acid

Molecular Formula C26H34N4O10S
Purity ≥95%
Storage -20°C
IUPAC Name 2-[[(1R)-2-[bis(carboxymethyl)amino]cyclohexyl]-[(2S)-2-[bis(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl]amino]acetic acid
InChI InChI=1S/C26H34N4O10S/c31-22(32)11-28(12-23(33)34)19(9-17-5-7-18(8-6-17)27-16-41)10-29(13-24(35)36)20-3-1-2-4-21(20)30(14-25(37)38)15-26(39)40/h5-8,19-21H,1-4,9-15H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,39,40)/t19-,20+,21?/m0/s1
InChIKey QZVREUUCWLULJM-MCOCGALXSA-N
SMILES C1CCC(C(C1)N(CC(CC2=CC=C(C=C2)N=C=S)N(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O

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