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88826-00-0 | L-Aspartic acid, N-[N-[N-[(1,1-dimethylethoxy)carbonyl]-L-valyl]-L-valyl]-
CAS No: 88826-00-0 Catalog No: AG004AJA MDL No:
Product Description
Catalog Number:
AG004AJA
Chemical Name:
L-Aspartic acid, N-[N-[N-[(1,1-dimethylethoxy)carbonyl]-L-valyl]-L-valyl]-
CAS Number:
88826-00-0
Molecular Formula:
C19H33N3O8
Molecular Weight:
431.4806
IUPAC Name:
2-[[3-methyl-2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butanedioic acid
InChI:
InChI=1S/C19H33N3O8/c1-9(2)13(15(25)20-11(17(27)28)8-12(23)24)21-16(26)14(10(3)4)22-18(29)30-19(5,6)7/h9-11,13-14H,8H2,1-7H3,(H,20,25)(H,21,26)(H,22,29)(H,23,24)(H,27,28)
InChI Key:
KFKJGDBVVDQSAK-UHFFFAOYSA-N
SMILES:
OC(=O)C[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C
Properties
Complexity:
655
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.227g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
431.486g/mol
Monoisotopic Mass:
431.227g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
171A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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