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847663-95-0 | L-Proline, L-seryl-L-prolylglycylglycyl-L-prolyl-L-prolyl-
CAS No: 847663-95-0 Catalog No: AG004XTM MDL No:
Product Description
Catalog Number:
AG004XTM
Chemical Name:
L-Proline, L-seryl-L-prolylglycylglycyl-L-prolyl-L-prolyl-
CAS Number:
847663-95-0
Molecular Formula:
C27H41N7O9
Molecular Weight:
607.6559
IUPAC Name:
(2S)-1-[(2S)-1-[(2S)-1-[2-[[2-[[(2S)-1-[(2S)-2-amino-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C27H41N7O9/c28-16(15-35)24(39)32-10-1-5-17(32)23(38)30-13-21(36)29-14-22(37)31-9-2-6-18(31)25(40)33-11-3-7-19(33)26(41)34-12-4-8-20(34)27(42)43/h16-20,35H,1-15,28H2,(H,29,36)(H,30,38)(H,42,43)/t16-,17-,18-,19-,20-/m0/s1
InChI Key:
JCTSCWGDYSGVIV-HVTWWXFQSA-N
SMILES:
OC[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O)N
Properties
Complexity:
1130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
607.297g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
607.665g/mol
Monoisotopic Mass:
607.297g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
223A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.2
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