Products 948896-68-2

CAS 948896-68-2 is the registry number for 5-(H-Gly-Pro-Gly-Pro-amido)-9-(di-(3-sulfonylpropyl)amino)-benzo(a)phenoxazonium perchlorate. Offered by: Biosynth. Available pack sizes: 500ug, 1000ug, 2000ug.

Structural formula: {0} (CAS {1})

[5-[[(2S)-1-[2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]benzo[a]phenoxazin-9-ylidene]-bis(3-sulfopropyl)azanium (CAS 948896-68-2) is a chemical compound with the molecular formula C36H44N7O11S2+ and a molecular weight of 814.9 g/mol. IUPAC name: [5-[[(2S)-1-[2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]benzo[a]phenoxazin-9-ylidene]-bis(3-sulfopropyl)azanium. InChIKey: YBOZUVODNFSAEL-VMPREFPWSA-O.

Identity
Molecular formulaC36H44N7O11S2+
Molecular weight814.9 g/mol
IUPAC name[5-[[(2S)-1-[2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]benzo[a]phenoxazin-9-ylidene]-bis(3-sulfopropyl)azanium
InChIKeyYBOZUVODNFSAEL-VMPREFPWSA-O
SMILESC1C[C@H](N(C1)C(=O)CN)C(=O)NCC(=O)N2CCC[C@H]2C(=O)NC3=CC4=C(C5=CC=CC=C53)N=C6C=CC(=[N+](CCCS(=O)(=O)O)CCCS(=O)(=O)O)C=C6O4

Computed by PubChem (NCBI)