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821772-11-6 | L-Proline, L-prolyl-L-tyrosyl-L-tyrosyl-
CAS No: 821772-11-6 Catalog No: AG0051G6 MDL No:
Product Description
Catalog Number:
AG0051G6
Chemical Name:
L-Proline, L-prolyl-L-tyrosyl-L-tyrosyl-
CAS Number:
821772-11-6
Molecular Formula:
C28H34N4O7
Molecular Weight:
538.5922
IUPAC Name:
(2S)-1-[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C28H34N4O7/c33-19-9-5-17(6-10-19)15-22(30-25(35)21-3-1-13-29-21)26(36)31-23(16-18-7-11-20(34)12-8-18)27(37)32-14-2-4-24(32)28(38)39/h5-12,21-24,29,33-34H,1-4,13-16H2,(H,30,35)(H,31,36)(H,38,39)/t21-,22-,23-,24-/m0/s1
InChI Key:
NVCNSADOLZRVLG-ZJZGAYNASA-N
SMILES:
Oc1ccc(cc1)C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)Cc1ccc(cc1)O)NC(=O)[C@@H]1CCCN1
Properties
Complexity:
870
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
538.243g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
538.601g/mol
Monoisotopic Mass:
538.243g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
168A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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