Products 2767203-39-2
CAS 2767203-39-2 is the registry number for NOTA-WL12. Offered by: MedChemExpress. Available pack sizes: Get quote.
2-[5-[[4-[3-[(3S,6S,9S,15S,18S,21S,27R,30S,33S,36S,39S,42S,45S,48S,50R)-15-(2-amino-2-oxoethyl)-27-[(2-amino-2-oxoethyl)carbamoyl]-33,36-dibutyl-50-hydroxy-42-(hydroxymethyl)-21-[(4-hydroxyphenyl)methyl]-6-(1H-imidazol-5-ylmethyl)-45-(1H-indol-3-ylmethyl)-18,19,34,37-tetramethyl-39-[(1-methylindol-3-yl)methyl]-3-(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxo-25-thia-1,4,7,13,16,19,22,28,31,34,37,40,43,46-tetradecazatricyclo[46.3.0.09,13]henpentacontan-30-yl]propylcarbamothioylamino]phenyl]methyl]-4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid (CAS 2767203-39-2) is a chemical compound with the molecular formula C111H154N26O26S2 and a molecular weight of 2332.7 g/mol. IUPAC name: 2-[5-[[4-[3-[(3S,6S,9S,15S,18S,21S,27R,30S,33S,36S,39S,42S,45S,48S,50R)-15-(2-amino-2-oxoethyl)-27-[(2-amino-2-oxoethyl)carbamoyl]-33,36-dibutyl-50-hydroxy-42-(hydroxymethyl)-21-[(4-hydroxyphenyl)methyl]-6-(1H-imidazol-5-ylmethyl)-45-(1H-indol-3-ylmethyl)-18,19,34,37-tetramethyl-39-[(1-methylindol-3-yl)methyl]-3-(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxo-25-thia-1,4,7,13,16,19,22,28,31,34,37,40,43,46-tetradecazatricyclo[46.3.0.09,13]henpentacontan-30-yl]propylcarbamothioylamino]phenyl]methyl]-4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid. InChIKey: VOARTUUCYYQFLI-XYLPUYTLSA-N.
| Molecular formula | C111H154N26O26S2 |
|---|---|
| Molecular weight | 2332.7 g/mol |
| IUPAC name | 2-[5-[[4-[3-[(3S,6S,9S,15S,18S,21S,27R,30S,33S,36S,39S,42S,45S,48S,50R)-15-(2-amino-2-oxoethyl)-27-[(2-amino-2-oxoethyl)carbamoyl]-33,36-dibutyl-50-hydroxy-42-(hydroxymethyl)-21-[(4-hydroxyphenyl)methyl]-6-(1H-imidazol-5-ylmethyl)-45-(1H-indol-3-ylmethyl)-18,19,34,37-tetramethyl-39-[(1-methylindol-3-yl)methyl]-3-(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxo-25-thia-1,4,7,13,16,19,22,28,31,34,37,40,43,46-tetradecazatricyclo[46.3.0.09,13]henpentacontan-30-yl]propylcarbamothioylamino]phenyl]methyl]-4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid |
| InChIKey | VOARTUUCYYQFLI-XYLPUYTLSA-N |
| SMILES | CCCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CSCC(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N3C[C@@H](C[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N1C)CCCC)C)CC4=CN(C5=CC=CC=C54)C)CO)CC6=CNC7=CC=CC=C76)O)CC(C)C)CC8=CN=CN8)CC(=O)N)C)C)CC9=CC=C(C=C9)O)C(=O)NCC(=O)N)CCCNC(=S)NC1=CC=C(C=C1)CC1CN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O |
Computed by PubChem (NCBI)
Synonyms:
orb3180500