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123228-27-3 | L-Glutamic acid, N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanyl-
CAS No: 123228-27-3 Catalog No: AG000K7C MDL No:
Product Description
Catalog Number:
AG000K7C
Chemical Name:
L-Glutamic acid, N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanyl-
CAS Number:
123228-27-3
Molecular Formula:
C19H26N2O7
Molecular Weight:
394.4189
IUPAC Name:
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]pentanedioic acid
InChI:
InChI=1S/C19H26N2O7/c1-19(2,3)28-18(27)21-14(11-12-7-5-4-6-8-12)16(24)20-13(17(25)26)9-10-15(22)23/h4-8,13-14H,9-11H2,1-3H3,(H,20,24)(H,21,27)(H,22,23)(H,25,26)
InChI Key:
TTYGGEWRCRFXCC-UHFFFAOYSA-N
SMILES:
OC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Properties
Complexity:
565
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.174g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
394.424g/mol
Monoisotopic Mass:
394.174g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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