Home > Product Catalog > All > 2-Propenamide, 3-[4-[[4-[[[[4-O-[3-amino-2-[(aminocarbonyl)amino]-2,3-dideoxy-β-D-xylopyranosyl]-2-[(aminocarbonyl)amino]-2-deoxy-α-D-xylopyranosyl]amino]carbonyl]amino]-2-[(aminoiminomethyl)amino]-2,4,6-trideoxy-α-D-glucopyranosyl]oxy]phenyl]-N-[3-[(4-aminobutyl)amino]propyl]-, (2E)- (9CI)

2-Propenamide, 3-[4-[[4-[[[[4-O-[3-amino-2-[(aminocarbonyl)amino]-2,3-dideoxy-β-D-xylopyranosyl]-2-[(aminocarbonyl)amino]-2-deoxy-α-D-xylopyranosyl]amino]carbonyl]amino]-2-[(aminoiminomethyl)amino]-2,4,6-trideoxy-α-D-glucopyranosyl]oxy]phenyl]-N-[3-[(4-aminobutyl)amino]propyl]-, (2E)- (9CI)

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Catalog No. : NC31371

CAS No. : 62251-27-8

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Molecular Formula : C₃₆H₆₁N₁₃O₁₂

Chemical Name : 2-Propenamide, 3-[4-[[4-[[[[4-O-[3-amino-2-[(aminocarbonyl)amino]-2,3-dideoxy-β-D-xylopyranosyl]-2-[(aminocarbonyl)amino]-2-deoxy-α-D-xylopyranosyl]amino]carbonyl]amino]-2-[(aminoiminomethyl)amino]-2,4,6-trideoxy-α-D-glucopyranosyl]oxy]phenyl]-N-[3-[(4-aminobutyl)amino]propyl]-, (2E)- (9CI)

Molecular Weight : 867.95

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Basic information

Standard English name
Cas No.	62251-27-8
Alias	2-Propenamide, 3-[4-[[4-[[[[4-O-[3-amino-2-[(aminocarbonyl)amino]-2,3-dideoxy-β-D-xylopyranosyl]-2-[(aminocarbonyl)amino]-2-deoxy-α-D-xylopyranosyl]amino]carbonyl]amino]-2-[(aminoiminomethyl)amino]-2,4,6-trideoxy-α-D-glucopyranosyl]oxy]phenyl]-N-[3-[(4-aminobutyl)amino]propyl]-, (2E)- (9CI)
Canonical Smiles	CC1OC(OC2C=CC(C=CC(=O)NCCCNCCCCN)=CC=2)C(NC(N)=N)C(O)C1NC(=O)NC1OCC(OC2OCC(O)C(N)C2NC(N)=O)C(O)C1NC(N)=O
MDL No.
Exact Mass	867.45626
Smiles	O=C(N)NC1C(OCC(OC2OCC(O)C(N)C2NC(=O)N)C1O)NC(=O)NC3C(O)C(NC(=N)N)C(OC4=CC=C(C=CC(=O)NCCCNCCCCN)C=C4)OC3C

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Inchi	InChI=1S/C36H61N13O12/c1-17-24(48-36(56)49-30-26(47-35(42)55)28(52)21(16-57-30)61-31-25(46-34(41)54)23(38)20(50)15-58-31)29(53)27(45-33(39)40)32(59-17)60-19-8-5-18(6-9-19)7-10-22(51)44-14-4-13-43-12-3-2-11-37/h5-10,17,20-21,23-32,43,50,52-53H,2-4,11-16,37-38H2,1H3,(H,44,51)(H4,39,40,45)(H3,41,46,54)(H3,42,47,55)(H2,48,49,56)
InchiKey	YYZIXLHNGARYMJ-UHFFFAOYSA-N
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