PL-3994
cas: 952295-80-6 — see every product listed under this CAS number, including other names
PL-3994 (CAS 952295-80-6) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.
| brand | MedChemExpress |
|---|---|
| catalog number | HY-P3562-Get quote |
| cas | 952295-80-6 |
| size | Get quote |
| availability | Get quote |
Need more information?
Ask us about this product — we're happy to help.
Available pack sizes
| brand | size | price | |
|---|---|---|---|
| MedChemExpress | Get quote | price on request |
properties
| delivery time | to confirm by Chemat |
|---|---|
| purity | no data |
2-[(4R,7S,10S,13S,16S,19R,22S,28R,31S,34S,37S)-31-benzyl-10-[(2S)-butan-2-yl]-19-butyl-13,22-bis(3-carbamimidamidopropyl)-4-[[(2S)-1-[(2S,5R)-2-(3-carbamimidamidopropyl)-5-carbamoyl-3-oxopiperazin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]-37-(heptanoylamino)-7-(hydroxymethyl)-34-(1H-imidazol-4-ylmethyl)-28-methyl-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacont-16-yl]acetic acid (CAS 952295-80-6) is a chemical compound with the molecular formula C82H127N27O20S2 and a molecular weight of 1875.2 g/mol. IUPAC name: 2-[(4R,7S,10S,13S,16S,19R,22S,28R,31S,34S,37S)-31-benzyl-10-[(2S)-butan-2-yl]-19-butyl-13,22-bis(3-carbamimidamidopropyl)-4-[[(2S)-1-[(2S,5R)-2-(3-carbamimidamidopropyl)-5-carbamoyl-3-oxopiperazin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]-37-(heptanoylamino)-7-(hydroxymethyl)-34-(1H-imidazol-4-ylmethyl)-28-methyl-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacont-16-yl]acetic acid. InChIKey: HSHVZRILAMZYHY-WXSGKXQHSA-N.
| Molecular formula | C82H127N27O20S2 |
|---|---|
| Molecular weight | 1875.2 g/mol |
| IUPAC name | 2-[(4R,7S,10S,13S,16S,19R,22S,28R,31S,34S,37S)-31-benzyl-10-[(2S)-butan-2-yl]-19-butyl-13,22-bis(3-carbamimidamidopropyl)-4-[[(2S)-1-[(2S,5R)-2-(3-carbamimidamidopropyl)-5-carbamoyl-3-oxopiperazin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]-37-(heptanoylamino)-7-(hydroxymethyl)-34-(1H-imidazol-4-ylmethyl)-28-methyl-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacont-16-yl]acetic acid |
| InChIKey | HSHVZRILAMZYHY-WXSGKXQHSA-N |
| SMILES | CCCCCCC(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC2=CNC=N2)CC3=CC=CC=C3)C)CCCNC(=N)N)CCCC)CC(=O)O)CCCNC(=N)N)[C@@H](C)CC)CO)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N5C[C@@H](NC(=O)[C@@H]5CCCNC(=N)N)C(=O)N |
Computed by PubChem (NCBI)