Chemical Compound

J2.049.393C

J2.049.393C chemical structure
Primary Record

J2.049.393C

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
177545423
SMILES
C1C[C@H]2C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2C1)CCCCNC(=O)CON)CCCCNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)CCCCNC(=O)CON)CCCCNC(=O)CON)CCCCNC(=O)CCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7)CCCCNC(=O)CON
Canonical SMILES
NOCC(=O)NCCCC[C@@H]1NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCNC(=O)CON)NC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)NC(=O)[C@H](CCCCNC(=O)CON)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCNC(=O)CON)NC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)NC1=O

Names & Synonyms

  • J2.049.393C
  • 5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-{4-[(3S,6S,9S,15S,21S,24S,27S,33S)-24-(4-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}butyl)-3,9,21,27-tetrakis({4-[2-(aminooxy)acetamido]butyl})-2,5,8,11,14,20,23,26,29,32-decaoxo-1,4,7,10,13,19,22,25,28,31-decaazatricyclo[31.3.0.015,19]hexatriacontan-6-yl]butyl}pentanamide
  • N6-(Aminooxyacetyl)cyclo[L-Lys-N6-[5-[(3abeta,6abeta)-2-oxohexahydro-1H-thieno[3,4-d]imidazole-4alpha-yl]pentanoyl]-L-Lys-N6-(aminooxyacetyl)-L-Lys-L-Pro-Gly-N6-(aminooxyacetyl)-L-Lys-N6-[5-[(3abeta,6abeta)-2-oxohexahydro-1H-thieno[3,4-d]imidazole-4alpha-yl]pentanoyl]-L-Lys-N6-(aminooxyacetyl)-L-Lys-L-Pro-Gly-]