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81543-16-0 | L-Prolinamide, N-acetyl-L-tyrosyl-L-alanyl-
CAS No: 81543-16-0 Catalog No: AG005K79 MDL No:
Product Description
Catalog Number:
AG005K79
Chemical Name:
L-Prolinamide, N-acetyl-L-tyrosyl-L-alanyl-
CAS Number:
81543-16-0
Molecular Formula:
C19H26N4O5
Molecular Weight:
390.4335
IUPAC Name:
(2S)-1-[(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]pyrrolidine-2-carboxamide
InChI:
InChI=1S/C19H26N4O5/c1-11(19(28)23-9-3-4-16(23)17(20)26)21-18(27)15(22-12(2)24)10-13-5-7-14(25)8-6-13/h5-8,11,15-16,25H,3-4,9-10H2,1-2H3,(H2,20,26)(H,21,27)(H,22,24)/t11-,15-,16-/m0/s1
InChI Key:
NAZTZEFZMWWCBL-UVBJJODRSA-N
SMILES:
CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)C)Cc1ccc(cc1)O
Properties
Complexity:
603
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
390.19g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
390.44g/mol
Monoisotopic Mass:
390.19g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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