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798540-98-4 | L-Alanine, L-isoleucylglycyl-L-alanyl-
CAS No: 798540-98-4 Catalog No: AG0055BE MDL No:
Product Description
Catalog Number:
AG0055BE
Chemical Name:
L-Alanine, L-isoleucylglycyl-L-alanyl-
CAS Number:
798540-98-4
Molecular Formula:
C14H26N4O5
Molecular Weight:
330.3800
IUPAC Name:
(2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]acetyl]amino]propanoyl]amino]propanoic acid
InChI:
InChI=1S/C14H26N4O5/c1-5-7(2)11(15)13(21)16-6-10(19)17-8(3)12(20)18-9(4)14(22)23/h7-9,11H,5-6,15H2,1-4H3,(H,16,21)(H,17,19)(H,18,20)(H,22,23)/t7-,8-,9-,11-/m0/s1
InChI Key:
JFKQMJDPDYDUNG-KBIXCLLPSA-N
SMILES:
CC[C@@H]([C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)C)N)C
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
330.19g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
330.385g/mol
Monoisotopic Mass:
330.19g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.4
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