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124190-28-9 | 2H-Pyrrole-2-acetic acid, 5-carboxy-4-[[(3S,5S)-5-[(dimethylamino)carbonyl]-3-pyrrolidinyl]thio]-3,4-dihydro-α-[(1R)-hydroxyethyl]-3-methyl-, (αS,2S,3R,4S)-
CAS No: 124190-28-9 Catalog No: AG002632 MDL No:
Product Description
Catalog Number:
AG002632
Chemical Name:
2H-Pyrrole-2-acetic acid, 5-carboxy-4-[[(3S,5S)-5-[(dimethylamino)carbonyl]-3-pyrrolidinyl]thio]-3,4-dihydro-α-[(1R)-hydroxyethyl]-3-methyl-, (αS,2S,3R,4S)-
CAS Number:
124190-28-9
IUPAC Name:
2-(1-carboxy-2-hydroxypropyl)-4-[5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid
InChI:
InChI=1S/C17H27N3O6S/c1-7-12(11(8(2)21)16(23)24)19-13(17(25)26)14(7)27-9-5-10(18-6-9)15(22)20(3)4/h7-12,14,18,21H,5-6H2,1-4H3,(H,23,24)(H,25,26)
InChI Key:
CDYPSIIDXKMBLV-UHFFFAOYSA-N
Properties
Complexity:
640
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.162g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
401.478g/mol
Monoisotopic Mass:
401.162g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
165A^2
Undefined Atom Stereocenter Count:
7
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.8
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