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83808-34-8 | L-Alaninamide, N-(3-carboxy-1-oxopropyl)-L-alanyl-L-alanyl-N-ethyl-
CAS No: 83808-34-8 Catalog No: AG00558K MDL No:
Product Description
Catalog Number:
AG00558K
Chemical Name:
L-Alaninamide, N-(3-carboxy-1-oxopropyl)-L-alanyl-L-alanyl-N-ethyl-
CAS Number:
83808-34-8
Molecular Formula:
C15H26N4O6
Molecular Weight:
358.3901
IUPAC Name:
4-[[(2S)-1-[[(2S)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
InChI:
InChI=1S/C15H26N4O6/c1-5-16-13(23)8(2)18-15(25)10(4)19-14(24)9(3)17-11(20)6-7-12(21)22/h8-10H,5-7H2,1-4H3,(H,16,23)(H,17,20)(H,18,25)(H,19,24)(H,21,22)/t8-,9-,10-/m0/s1
InChI Key:
PLKODYLJZGCPPY-GUBZILKMSA-N
SMILES:
CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCC(=O)O)C)C)C
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
358.185g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
358.395g/mol
Monoisotopic Mass:
358.185g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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