Products 1609384-59-9
CAS 1609384-59-9 is the registry number for XIAP BIR2/BIR2-3 inhibitor-1. Offered by: MedChemExpress. Available pack sizes: Get quote.
(4R,8S,11S,14R,24R,28S,31S,34R)-7,27-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-11,31-bis(naphthalen-2-ylmethyl)-9,12,29,32-tetraoxo-3,23-dioxa-7,10,13,18,19,20,27,30,33,38,39,40-dodecazapentacyclo[36.2.1.118,21.04,8.024,28]dotetraconta-1(41),19,21(42),39-tetraene-14,34-dicarboxylic acid (CAS 1609384-59-9) is a chemical compound with the molecular formula C72H96N16O14 and a molecular weight of 1409.6 g/mol. IUPAC name: (4R,8S,11S,14R,24R,28S,31S,34R)-7,27-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-11,31-bis(naphthalen-2-ylmethyl)-9,12,29,32-tetraoxo-3,23-dioxa-7,10,13,18,19,20,27,30,33,38,39,40-dodecazapentacyclo[36.2.1.118,21.04,8.024,28]dotetraconta-1(41),19,21(42),39-tetraene-14,34-dicarboxylic acid. InChIKey: UZIAKDBFVNIMHM-AHKGGJCZSA-N.
| Molecular formula | C72H96N16O14 |
|---|---|
| Molecular weight | 1409.6 g/mol |
| IUPAC name | (4R,8S,11S,14R,24R,28S,31S,34R)-7,27-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-11,31-bis(naphthalen-2-ylmethyl)-9,12,29,32-tetraoxo-3,23-dioxa-7,10,13,18,19,20,27,30,33,38,39,40-dodecazapentacyclo[36.2.1.118,21.04,8.024,28]dotetraconta-1(41),19,21(42),39-tetraene-14,34-dicarboxylic acid |
| InChIKey | UZIAKDBFVNIMHM-AHKGGJCZSA-N |
| SMILES | C[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@H](C(=O)N[C@H](CCCN3C=C(CO[C@@H]4CCN([C@@H]4C(=O)N[C@H](C(=O)N[C@H](CCCN5C=C(CO2)N=N5)C(=O)O)CC6=CC7=CC=CC=C7C=C6)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)N=N3)C(=O)O)CC8=CC9=CC=CC=C9C=C8)C(C)(C)C)NC |
Computed by PubChem (NCBI)
Synonyms:
XIAP BIR2/BIR2-3 inhibitor-1, orb2565049