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827613-25-2 | L-Phenylalanine, N-[(phenylamino)carbonyl]-L-leucyl-
CAS No: 827613-25-2 Catalog No: AG008IOV MDL No:
Product Description
Catalog Number:
AG008IOV
Chemical Name:
L-Phenylalanine, N-[(phenylamino)carbonyl]-L-leucyl-
CAS Number:
827613-25-2
Molecular Formula:
C22H27N3O4
Molecular Weight:
397.4675
IUPAC Name:
(2S)-2-[[(2S)-4-methyl-2-(phenylcarbamoylamino)pentanoyl]amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C22H27N3O4/c1-15(2)13-18(25-22(29)23-17-11-7-4-8-12-17)20(26)24-19(21(27)28)14-16-9-5-3-6-10-16/h3-12,15,18-19H,13-14H2,1-2H3,(H,24,26)(H,27,28)(H2,23,25,29)/t18-,19-/m0/s1
InChI Key:
IMKAGSVDMGWNTG-OALUTQOASA-N
SMILES:
CC(C[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)NC(=O)Nc1ccccc1)C
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
397.2g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
397.475g/mol
Monoisotopic Mass:
397.2g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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