Chemical Compound

Octreotide[reduced]

CAS Registry Number 108102-46-1
Octreotide[reduced] chemical structure
Primary Record

Octreotide[reduced]

In stock
7,128 g
Purity
98.9 %
CAS
108102-46-1

Compound Identifiers & Properties

CAS
108102-46-1
PubChem CID
9941364
SMILES
C[C@H]([C@@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CS)NC(=O)[C@@H](CC4=CC=CC=C4)N)O
Canonical SMILES
C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N[C@H](CO)[C@@H](C)O

Names & Synonyms

  • Octreotide[reduced]
  • SMS-201-995[reduced]
  • SCHEMBL24504163
  • SCHEMBL29364662
  • CID9941364
  • CID 9941364
  • D-Phe-Cys-Phe-D-Trp-Lys-Thr-Cys-Thr-ol
  • J342.221F
  • D-Phe-Cys-Phe-D-Trp-Lys-Thr-Cys-Thr(ol)
  • (2R,3R)-2-[(D-Phe-L-Cys-L-Phe-D-Trp-L-Lys-L-Thr-L-Cys-)Amino]-1,3-butanediol
  • 108102-46-1
  • (2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S,3R)-1-[[(2R)-1-[[(2R,3R)-1,3-dihydroxybutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]hexanamide
  • (2S)-6-amino-2-[(2R)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]-N-[(1S,2R)-1-{[(1R)-1-{[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl}-2-sulfanylethyl]carbamoyl}-2-hydroxypropyl]hexanamide
  • D-Phe-L-Cys-L-Phe-D-Trp-L-Lys-L-Thr-L-Cys-N-[(1R,2R)-2-Hydroxy-1-(hydroxymethyl)propyl]-NH2