Chemical Compound

orb1303802

CAS Registry Number 839730-93-7
orb1303802 chemical structure
Primary Record

orb1303802

In stock
3,175 g
Purity
99.6 %
CAS
839730-93-7

Compound Identifiers & Properties

CAS
839730-93-7
PubChem CID
168013034
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)N[C@H](CCCNC(=N)N)C(=O)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCCN)NC(=O)CNC(=O)C5=CC(=O)OC6=C5C=CC(=C6)OC.CC(=O)O
Canonical SMILES
CC(=O)O.CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)c1cc(=O)oc2cc(OC)ccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)N[C@H](CCCNC(=N)N)C(N)=O

Names & Synonyms

  • orb1303802
  • AKOS040755872
  • Cathepsin D and E FRET Substrate acetate
  • TS-08874
  • Cathepsin D and E FRET Substrate acetate(839730-93-7 Free base)
  • 839730-93-7
  • acetic acid;(2S)-N-[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-6-(2,4-dinitroanilino)-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-1-[(2S)-6-amino-2-[[2-[(7-methoxy-2-oxochromene-4-carbonyl)amino]acetyl]amino]hexanoyl]pyrrolidine-2-carboxamide