Chemical Compound

J2.849.427K

J2.849.427K chemical structure
Primary Record

J2.849.427K

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
46189427
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)NCCOCCN3C=C(N=N3)CN(C)CCCN4C=C(C5=CC=CC=C54)C6=C(C(=O)NC6=O)C7=CN(C8=CC=CC=C87)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(=O)O)NC(=O)C
Canonical SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)NCCOCCn1cc(CN(C)CCCn2cc(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)c3ccccc32)nn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(N)=O

Names & Synonyms

  • J2.849.427K
  • (4S)-4-{[(1S,2S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S,2S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}-2-methylbutyl]carbamoyl}pentyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}ethyl]carbamoyl}pyrrolidin-1-yl]-5-(N'-{2-[2-(4-{[methyl(3-{3-[4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1H-indol-1-yl}propyl)amino]methyl}-1H-1,2,3-triazol-1-yl)ethoxy]ethyl}carbamimidamido)-1-oxopentan-2-yl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-methylbutyl]carbamoyl}-4-acetamidobutanoic acid
  • Ac-L-Glu-L-Ile-L-Leu-L-Ser-L-Arg-omega-[2-[2-[4-[[Methyl[3-[3-[2,5-dioxo-4-(1-methyl-1H-indole-3-yl)-3-pyrroline-3-yl]-1H-indole-1-yl]propyl]amino]methyl]-1H-1,2,3-triazole-1-yl]ethoxy]ethyl]-L-Arg-L-Pro-L-Ala-L-Tyr-L-Arg-L-Lys-L-Ile-L-Leu-NH2