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817620-36-3 | D-Alanine, 1-[3-(4-hydroxyphenyl)-1-oxopropyl]-L-prolyl-D-leucyl-
CAS No: 817620-36-3 Catalog No: AG00574K MDL No:
Product Description
Catalog Number:
AG00574K
Chemical Name:
D-Alanine, 1-[3-(4-hydroxyphenyl)-1-oxopropyl]-L-prolyl-D-leucyl-
CAS Number:
817620-36-3
Molecular Formula:
C23H33N3O6
Molecular Weight:
447.5246
IUPAC Name:
(2R)-2-[[(2R)-2-[[(2S)-1-[3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]propanoic acid
InChI:
InChI=1S/C23H33N3O6/c1-14(2)13-18(21(29)24-15(3)23(31)32)25-22(30)19-5-4-12-26(19)20(28)11-8-16-6-9-17(27)10-7-16/h6-7,9-10,14-15,18-19,27H,4-5,8,11-13H2,1-3H3,(H,24,29)(H,25,30)(H,31,32)/t15-,18-,19+/m1/s1
InChI Key:
GXNLRFMJXFPQRX-LZQZEXGQSA-N
SMILES:
CC(C[C@H](C(=O)N[C@@H](C(=O)O)C)NC(=O)[C@@H]1CCCN1C(=O)CCc1ccc(cc1)O)C
Properties
Complexity:
675
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
447.237g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
447.532g/mol
Monoisotopic Mass:
447.237g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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