Products 3067986-23-3
CAS 3067986-23-3 is the registry number for IS4. Offered by: MedChemExpress. Available pack sizes: Get quote.
(4R,7S,10S,13S,16S)-16-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-7,10-dibenzyl-13-[3-(diaminomethylideneamino)propyl]-6,9,12,15,20,22-hexaoxo-21-prop-2-ynyl-2,18-dithia-5,8,11,14,21-pentazabicyclo[17.3.0]docos-1(19)-ene-4-carboxylic acid (CAS 3067986-23-3) is a chemical compound with the molecular formula C48H62N14O11S2 and a molecular weight of 1075.2 g/mol. IUPAC name: (4R,7S,10S,13S,16S)-16-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-7,10-dibenzyl-13-[3-(diaminomethylideneamino)propyl]-6,9,12,15,20,22-hexaoxo-21-prop-2-ynyl-2,18-dithia-5,8,11,14,21-pentazabicyclo[17.3.0]docos-1(19)-ene-4-carboxylic acid. InChIKey: QIWNNQLPEDNVAZ-OTYGRGGYSA-N.
| Molecular formula | C48H62N14O11S2 |
|---|---|
| Molecular weight | 1075.2 g/mol |
| IUPAC name | (4R,7S,10S,13S,16S)-16-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-7,10-dibenzyl-13-[3-(diaminomethylideneamino)propyl]-6,9,12,15,20,22-hexaoxo-21-prop-2-ynyl-2,18-dithia-5,8,11,14,21-pentazabicyclo[17.3.0]docos-1(19)-ene-4-carboxylic acid |
| InChIKey | QIWNNQLPEDNVAZ-OTYGRGGYSA-N |
| SMILES | C[C@@H](C(=O)N[C@@H]1CSC2=C(C(=O)N(C2=O)CC#C)SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCN=C(N)N)CC3=CC=CC=C3)CC4=CC=CC=C4)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C |
Computed by PubChem (NCBI)
Synonyms:
Peptide IS4, orb3142509