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126092-98-6 | 1H-Pyrrole-2-carboxylic acid, 4-[[[4-[[(1,1-dimethylethoxy)carbonyl]amino]-1-methyl-1H-pyrrol-2-yl]carbonyl]amino]-1-methyl-
CAS No: 126092-98-6 Catalog No: AG000RM0 MDL No:MFCD12963568
Product Description
Catalog Number:
AG000RM0
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 4-[[[4-[[(1,1-dimethylethoxy)carbonyl]amino]-1-methyl-1H-pyrrol-2-yl]carbonyl]amino]-1-methyl-
CAS Number:
126092-98-6
Molecular Formula:
C17H22N4O5
Molecular Weight:
362.3804
MDL Number:
MFCD12963568
IUPAC Name:
1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylic acid
InChI:
InChI=1S/C17H22N4O5/c1-17(2,3)26-16(25)19-11-6-12(20(4)9-11)14(22)18-10-7-13(15(23)24)21(5)8-10/h6-9H,1-5H3,(H,18,22)(H,19,25)(H,23,24)
InChI Key:
UKRBNYGJOCAJEL-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1cn(c(c1)C(=O)Nc1cn(c(c1)C(=O)O)C)C
Properties
Complexity:
562
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.159g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
362.386g/mol
Monoisotopic Mass:
362.159g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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