Chemical Compound

J2.830.815I

J2.830.815I chemical structure
Primary Record

J2.830.815I

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
177449269
SMILES
C[C@@H](C(=O)NC(=O)C1=CC=C(C=C1)N(CCSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)CNC(=O)[C@H](COC(C)(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@@H]8CCCN8C(=O)[C@H](COC(C)(C)C)N)N
Canonical SMILES
CSCC[C@H](NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)COC(C)(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NCC(=O)N[C@@H](COC(C)(C)C)C(=O)NCC(=O)N(CCSC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(C(=O)NC(=O)[C@H](C)N)cc1)C(C)C

Names & Synonyms

  • J2.830.815I
  • N-[4-[[O-tert-Butyl-L-Ser-L-Pro-N6-Boc-L-Lys-L-Met-L-Val-N5-trityl-L-Gln-Gly-O-tert-butyl-L-Ser-Gly-][2-(tritylthio)ethyl]amino]benzoyl]-L-alaninamide
  • tert-butyl N-[(5S)-5-{[(2S)-1-[(2S)-2-amino-3-(tert-butoxy)propanoyl]pyrrolidin-2-yl]formamido}-5-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-({[(4-{[(2S)-2-aminopropanoyl]carbamoyl}phenyl)({2-[(triphenylmethyl)sulfanyl]ethyl})carbamoyl]methyl}carbamoyl)-2-(tert-butoxy)ethyl]carbamoyl}methyl)carbamoyl]-3-[(triphenylmethyl)carbamoyl]propyl]carbamoyl}-2-methylpropyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}pentyl]carbamate