Chemical Compound

MFCD18782546

CAS Registry Number 400716-78-1
MFCD18782546 chemical structure
Primary Record

MFCD18782546

In stock
5,105 g
Purity
98.2 %
CAS
400716-78-1

Compound Identifiers & Properties

CAS
400716-78-1
PubChem CID
145707585
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)NCC(=O)N[C@@H](CCCCNC(=O)C3=CC=C(C=C3)N=NC4=CC=C(C=C4)N(C)C)C(=O)NC(CCC(=O)O)C(=O)N)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)NCCNC6=CC=CC7=C6C=CC=C7S(=O)(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)C.C(=O)(C(F)(F)F)O
Canonical SMILES
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)NCCNc1cccc2c(S(=O)(=O)O)cccc12)NC(=O)[C@H](CCC(=O)O)NC(C)=O)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)NCC(=O)N[C@@H](CCCCNC(=O)c1ccc(N=Nc2ccc(N(C)C)cc2)cc1)C(=O)NC(CCC(=O)O)C(N)=O.O=C(O)C(F)(F)F

Names & Synonyms

  • MFCD18782546
  • FA110942
  • Ac-Glu-Asp(EDANS)-Lys-Pro-Ile-Leu-Phe-Phe-Arg-Leu-Gly-Lys(DABCYL)-Glu-NH2 Trifluoroacetate
  • 4-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-carboxybutanoyl]amino]-4-oxo-4-[2-[(5-sulfonaphthalen-1-yl)amino]ethylamino]butanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-6-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]hexanoyl]amino]-5-amino-5-oxopentanoic acid;2,2,2-trifluoroacetic acid
  • 400716-78-1
  • Ac-Glu-Asp(EDANS)-Lys-Pro-Ile-Leu-Phe-Phe-Arg-Leu-Gly-Lys(DABCYL)-Glu-NH2 trifluoroacetate salt