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190143-42-1 | L-Aspartic acid, L-alanyl-L-prolylglycyl- (9CI)
CAS No: 190143-42-1 Catalog No: AG002ED7 MDL No:
Product Description
Catalog Number:
AG002ED7
Chemical Name:
L-Aspartic acid, L-alanyl-L-prolylglycyl- (9CI)
CAS Number:
190143-42-1
Molecular Formula:
C14H22N4O7
Molecular Weight:
358.3471
IUPAC Name:
(2S)-2-[[2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]butanedioic acid
InChI:
InChI=1S/C14H22N4O7/c1-7(15)13(23)18-4-2-3-9(18)12(22)16-6-10(19)17-8(14(24)25)5-11(20)21/h7-9H,2-6,15H2,1H3,(H,16,22)(H,17,19)(H,20,21)(H,24,25)/t7-,8-,9-/m0/s1
InChI Key:
UDUXQUDVKNCDBG-CIUDSAMLSA-N
SMILES:
O=C(N[C@H](C(=O)O)CC(=O)O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C
Properties
Complexity:
565
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
358.149g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
358.351g/mol
Monoisotopic Mass:
358.149g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
179A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.6
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