N-[6-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl]-L-valyl-N5-(aminocarbonyl)-N-[4-[[[2-[[2-[[(1S)-1-(chloromethyl)-1,2-dihydro-5-hydroxy-3H-benz[e]indol-3-yl]carbonyl]-1H-indol-5-yl]oxy]ethyl]dimethylammonio]methyl]phenyl]-L-ornithinamide, 90.01%, 90.01%

cas: 2055896-98-3 — zobacz wszystkie produkty o tym numerze CAS, także pod innymi nazwami

N-[6-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl]-L-valyl-N5-(aminocarbonyl)-N-[4-[[[2-[[2-[[(1S)-1-(chloromethyl)-1,2-dihydro-5-hydroxy-3H-benz[e]indol-3-yl]carbonyl]-1H-indol-5-yl]oxy]ethyl]dimethylammonio]methyl]phenyl]-L-ornithinamide, 90.01%, 90.01% (CAS 2055896-98-3) to odczynnik chemiczny dostępny w ofercie Chemat. Dostępne opakowania: 1mg. Oferty producentów: Chemat.

• 2D
• 3D

[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl-[2-[[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]oxy]ethyl]-dimethylazanium chloride (CAS 2055896-98-3) to związek chemiczny o wzorze sumarycznym C54H65Cl2N9O9 i masie molowej 1055.1 g/mol. Nazwa systematyczna IUPAC: [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl-[2-[[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]oxy]ethyl]-dimethylazanium chloride. InChIKey: UNCKJRMATSMWHA-QMUBXYOZSA-N.

Dane identyfikacyjne

Wzór sumaryczny	C54H65Cl2N9O9
Masa molowa	1055.1 g/mol
Nazwa IUPAC	[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl-[2-[[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]oxy]ethyl]-dimethylazanium chloride
InChIKey	UNCKJRMATSMWHA-QMUBXYOZSA-N
SMILES	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)C[N+](C)(C)CCOC2=CC3=C(C=C2)NC(=C3)C(=O)N4C[C@H](C5=C4C=C(C6=CC=CC=C65)O)CCl)NC(=O)CCCCCN7C(=O)C=CC7=O.[Cl-]

Dane obliczone przez PubChem (NCBI)

Synonimy: MC-Val-Cit-PAB-duocarmycin, MC-Val-Cit-PAB-duocarmycin (chloride), MC-Val-Cit-PAB-duocarmycin chloride, orb1988049