Products 111317-90-9
CAS 111317-90-9 appears in our catalog under these names: Conopressin S, Conopressin S acetate(111317-90-9 free base)/ 99.79% (existing batch purity). Offered by: Creative Peptides, Biosynth, MedChemExpress, TargetMol. Available pack sizes: on request, 5mg, 1mg, 10mg, 25mg, 50mg, Get quote, 100mg.
(2S)-1-[(4R,7S,10S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-13,16-bis[(2S)-butan-2-yl]-10-[3-(diaminomethylideneamino)propyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide (CAS 111317-90-9) is a chemical compound with the molecular formula C41H73N17O10S2 and a molecular weight of 1028.3 g/mol. IUPAC name: (2S)-1-[(4R,7S,10S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-13,16-bis[(2S)-butan-2-yl]-10-[3-(diaminomethylideneamino)propyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide. InChIKey: VXIFAUSRCYILTD-FMWAODGFSA-N.
| Molecular formula | C41H73N17O10S2 |
|---|---|
| Molecular weight | 1028.3 g/mol |
| IUPAC name | (2S)-1-[(4R,7S,10S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-13,16-bis[(2S)-butan-2-yl]-10-[3-(diaminomethylideneamino)propyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide |
| InChIKey | VXIFAUSRCYILTD-FMWAODGFSA-N |
| SMILES | CC[C@H](C)[C@H]1C(=O)NC(C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N1)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)CCCN=C(N)N)[C@@H](C)CC |
Computed by PubChem (NCBI)