(2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-[(3S)-1-ethanimidoylpyrrolidin-3-yl]oxyphenyl]propanoic acid pentahydrate hydrochloride
Molecular Formula:
C26H39ClN4O8
InChI: InChI=1/C26H28N4O3.ClH.5H2O/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17;;;;;;/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32);1H;5*1H2/b27-16+;;;;;;/t23-,24-;;;;;;/m0....../s1/f/h28,31H,29H2;;;;;;/b27-16+,28-25-;;;;;;
InChIKey: InChIKey=LJCBAPRMNYSDOP-FOSYVAFTDM
SMILES: CC(=N)N1CCC(C1)OC2=CC=C(C=C2)C(CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C(=O)O.O.O.O.O.O.Cl
Names:
(2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-[(3S)-1-ethanimidoylpyrrolidin-3-yl]oxyphenyl]propanoic acid pentahydrate hydrochloride
Registries:
PubChem CID 122128
PubChem ID 10239954
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