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116480-86-5 | L-Phenylalanine, N-[N-[(1,1-dimethylethoxy)carbonyl]-D-valyl]- (9CI)
CAS No: 116480-86-5 Catalog No: AG000CL5 MDL No:
Product Description
Catalog Number:
AG000CL5
Chemical Name:
L-Phenylalanine, N-[N-[(1,1-dimethylethoxy)carbonyl]-D-valyl]- (9CI)
CAS Number:
116480-86-5
Molecular Formula:
C19H28N2O5
Molecular Weight:
364.4360
IUPAC Name:
2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C19H28N2O5/c1-12(2)15(21-18(25)26-19(3,4)5)16(22)20-14(17(23)24)11-13-9-7-6-8-10-13/h6-10,12,14-15H,11H2,1-5H3,(H,20,22)(H,21,25)(H,23,24)
InChI Key:
CCPXIFCBNOUEBC-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)C(C)C
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.2g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
364.442g/mol
Monoisotopic Mass:
364.2g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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