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823232-96-8 | L-Aspartic acid, glycyl-L-phenylalanyl-L-alanylglycyl-
CAS No: 823232-96-8 Catalog No: AG005E15 MDL No:
Product Description
Catalog Number:
AG005E15
Chemical Name:
L-Aspartic acid, glycyl-L-phenylalanyl-L-alanylglycyl-
CAS Number:
823232-96-8
Molecular Formula:
C20H27N5O8
Molecular Weight:
465.4571
IUPAC Name:
(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]propanoyl]amino]acetyl]amino]butanedioic acid
InChI:
InChI=1S/C20H27N5O8/c1-11(18(30)22-10-16(27)25-14(20(32)33)8-17(28)29)23-19(31)13(24-15(26)9-21)7-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10,21H2,1H3,(H,22,30)(H,23,31)(H,24,26)(H,25,27)(H,28,29)(H,32,33)/t11-,13-,14-/m0/s1
InChI Key:
GEPJWXPQWQJRCR-UBHSHLNASA-N
SMILES:
NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)O)CC(=O)O)C)Cc1ccccc1
Properties
Complexity:
738
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
465.186g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
465.463g/mol
Monoisotopic Mass:
465.186g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
217A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.4
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