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126369-38-8 | L-Isoleucine, L-prolyl-L-prolyl-
CAS No: 126369-38-8 Catalog No: AG000SQ1 MDL No:
Product Description
Catalog Number:
AG000SQ1
Chemical Name:
L-Isoleucine, L-prolyl-L-prolyl-
CAS Number:
126369-38-8
Molecular Formula:
C16H27N3O4
Molecular Weight:
325.4033
IUPAC Name:
3-methyl-2-[[1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]pentanoic acid
InChI:
InChI=1S/C16H27N3O4/c1-3-10(2)13(16(22)23)18-14(20)12-7-5-9-19(12)15(21)11-6-4-8-17-11/h10-13,17H,3-9H2,1-2H3,(H,18,20)(H,22,23)
InChI Key:
DWPXHLIBFQLKLK-UHFFFAOYSA-N
SMILES:
CC[C@@H]([C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.2g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
325.409g/mol
Monoisotopic Mass:
325.2g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5
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