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123253-88-3 | L-Valine, N-[(1,1-dimethylethoxy)carbonyl]-L-leucyl-L-alanyl- (9CI)
CAS No: 123253-88-3 Catalog No: AG000K8O MDL No:
Product Description
Catalog Number:
AG000K8O
Chemical Name:
L-Valine, N-[(1,1-dimethylethoxy)carbonyl]-L-leucyl-L-alanyl- (9CI)
CAS Number:
123253-88-3
Molecular Formula:
C19H35N3O6
Molecular Weight:
401.4977
IUPAC Name:
3-methyl-2-[2-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]propanoylamino]butanoic acid
InChI:
InChI=1S/C19H35N3O6/c1-10(2)9-13(21-18(27)28-19(6,7)8)16(24)20-12(5)15(23)22-14(11(3)4)17(25)26/h10-14H,9H2,1-8H3,(H,20,24)(H,21,27)(H,22,23)(H,25,26)
InChI Key:
ZNLCNUGCEROBQD-UHFFFAOYSA-N
SMILES:
CC(C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)C)NC(=O)OC(C)(C)C)C
Properties
Complexity:
569
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.253g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
401.504g/mol
Monoisotopic Mass:
401.253g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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