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860-55-9 | 3-hydroxy-2-[(3-phenyl-2-phenylmethoxycarbonylamino-propanoyl)amino]propanoic acid
CAS No: 860-55-9 Catalog No: AG004UBR MDL No:
Product Description
Catalog Number:
AG004UBR
Chemical Name:
3-hydroxy-2-[(3-phenyl-2-phenylmethoxycarbonylamino-propanoyl)amino]propanoic acid
CAS Number:
860-55-9
Molecular Formula:
C20H22N2O6
Molecular Weight:
386.3985
IUPAC Name:
3-hydroxy-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
InChI:
InChI=1S/C20H22N2O6/c23-12-17(19(25)26)21-18(24)16(11-14-7-3-1-4-8-14)22-20(27)28-13-15-9-5-2-6-10-15/h1-10,16-17,23H,11-13H2,(H,21,24)(H,22,27)(H,25,26)
InChI Key:
CXVNVEDASVJQHE-UHFFFAOYSA-N
SMILES:
OCC(C(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
NSC Number:
334024
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.148g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
386.404g/mol
Monoisotopic Mass:
386.148g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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