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125746-19-2 | L-Valine, N-(N-L-prolyl-L-valyl)- (9CI)
CAS No: 125746-19-2 Catalog No: AG000OLP MDL No:
Product Description
Catalog Number:
AG000OLP
Chemical Name:
L-Valine, N-(N-L-prolyl-L-valyl)- (9CI)
CAS Number:
125746-19-2
Molecular Formula:
C15H27N3O4
Molecular Weight:
313.3926
IUPAC Name:
(2S)-3-methyl-2-[[(2S)-3-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]butanoic acid
InChI:
InChI=1S/C15H27N3O4/c1-8(2)11(17-13(19)10-6-5-7-16-10)14(20)18-12(9(3)4)15(21)22/h8-12,16H,5-7H2,1-4H3,(H,17,19)(H,18,20)(H,21,22)/t10-,11-,12-/m0/s1
InChI Key:
FHJQROWZEJFZPO-SRVKXCTJSA-N
SMILES:
CC([C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@@H]1CCCN1)C
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
313.2g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
313.398g/mol
Monoisotopic Mass:
313.2g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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