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114073-36-8 | L-Proline, 1-[N-(1-L-tyrosyl-L-prolyl)-D-phenylalanyl]- (9CI)
CAS No: 114073-36-8 Catalog No: AG000AHQ MDL No:
Product Description
Catalog Number:
AG000AHQ
Chemical Name:
L-Proline, 1-[N-(1-L-tyrosyl-L-prolyl)-D-phenylalanyl]- (9CI)
CAS Number:
114073-36-8
Molecular Formula:
C28H34N4O6
Molecular Weight:
522.5928
IUPAC Name:
1-[2-[[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C28H34N4O6/c29-21(16-19-10-12-20(33)13-11-19)26(35)31-14-4-8-23(31)25(34)30-22(17-18-6-2-1-3-7-18)27(36)32-15-5-9-24(32)28(37)38/h1-3,6-7,10-13,21-24,33H,4-5,8-9,14-17,29H2,(H,30,34)(H,37,38)
InChI Key:
DCGNJQAPLOBXDM-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)O)Cc1ccccc1)N
Properties
Complexity:
854
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
522.248g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
522.602g/mol
Monoisotopic Mass:
522.248g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
153A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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