Primary Record
CHEMBL1196511
- In stock
- 550 g
- Purity
- 98.1 %
Compound Identifiers & Properties
- PubChem CID
- 44363110
- SMILES
- CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@H](C(=O)N[C@H](C(=O)N3CC[C@@H]([C@H]3C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CCCNC(=O)CCCCCN)[C@@H](C)O)[C@@H](CC(=O)N)O)O)[C@@H](C)O)[C@@H](C)O)O)C(C)C)CC4=CC=C(C=C4)O)C)[C@@H](C)O
- Canonical SMILES
- CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=O)CCCCCN)C(=O)O1
Names & Synonyms
- CHEMBL1196511
- J1.507.681J
- (3R)-3-Tridecyl-2-deaminocyclo[L-Ser*-D-aThr-D-Ala-L-Tyr-L-Val-L-t4Hyp-D-aThr-L-Thr-L-t3Hyp-[(3R)-3-hydroxy-L-Gln-]-Gly-D-aThr-N5-(6-aminohexanoyl)-L-Orn-]
- 6-amino-N-{3-[(3S,6R,9S,11R,15S,18S,21R,24R,28R,31S,34R,40S,43S,44S)-40-[(1R)-2-carbamoyl-1-hydroxyethyl]-11,44-dihydroxy-3,6,24,34-tetrakis[(1R)-1-hydroxyethyl]-18-[(4-hydroxyphenyl)methyl]-21-methyl-2,5,8,14,17,20,23,26,30,33,36,39,42-tridecaoxo-15-(propan-2-yl)-28-tridecyl-29-oxa-1,4,7,13,16,19,22,25,32,35,38,41-dodecaazatricyclo[41.3.0.09,13]hexatetracontan-31-yl]propyl}hexanamide