Produkty 1190083-57-8
CAS 1190083-57-8 to numer rejestracyjny substancji Merotocin. Oferty producentów: MedChemExpress. Dostępne opakowania: Get quote.
(3R,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-N-[2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-[(4-fluorophenyl)methyl]-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentazacycloicosane-3-carboxamide (CAS 1190083-57-8) to związek chemiczny o wzorze sumarycznym C48H68FN11O12S i masie molowej 1042.2 g/mol. Nazwa systematyczna IUPAC: (3R,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-N-[2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-[(4-fluorophenyl)methyl]-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentazacycloicosane-3-carboxamide. InChIKey: PVVHQWISMVJHFK-NIFJBHDKSA-N.
| Wzór sumaryczny | C48H68FN11O12S |
|---|---|
| Masa molowa | 1042.2 g/mol |
| Nazwa IUPAC | (3R,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-N-[2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-[(4-fluorophenyl)methyl]-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentazacycloicosane-3-carboxamide |
| InChIKey | PVVHQWISMVJHFK-NIFJBHDKSA-N |
| SMILES | CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSCCCC(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O)C(=O)N(CC3=CC=C(C=C3)F)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N |
Dane obliczone przez PubChem (NCBI)
Synonimy:
Merotocin, Merotocin [INN], MEROTOCIN [WHO-DD], merotocina, merotocine, merotocinum, orb1699970