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817624-86-5 | L-Alanine, L-seryl-L-phenylalanyl-L-valyl-
CAS No: 817624-86-5 Catalog No: AG005I2F MDL No:
Product Description
Catalog Number:
AG005I2F
Chemical Name:
L-Alanine, L-seryl-L-phenylalanyl-L-valyl-
CAS Number:
817624-86-5
Molecular Formula:
C20H30N4O6
Molecular Weight:
422.4754
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]propanoic acid
InChI:
InChI=1S/C20H30N4O6/c1-11(2)16(19(28)22-12(3)20(29)30)24-18(27)15(23-17(26)14(21)10-25)9-13-7-5-4-6-8-13/h4-8,11-12,14-16,25H,9-10,21H2,1-3H3,(H,22,28)(H,23,26)(H,24,27)(H,29,30)/t12-,14-,15-,16-/m0/s1
InChI Key:
XWTCGHSDTKWUPH-TUUVXOQKSA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)C(C)C)Cc1ccccc1)N
Properties
Complexity:
606
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
422.217g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
422.482g/mol
Monoisotopic Mass:
422.217g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
171A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.5
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