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79679-74-6 | L-Proline, 1-[1-[N-[1-(1-glycyl-L-prolyl)-L-prolyl]glycyl]-L-prolyl]-
CAS No: 79679-74-6 Catalog No: AG0057BH MDL No:
Product Description
Catalog Number:
AG0057BH
Chemical Name:
L-Proline, 1-[1-[N-[1-(1-glycyl-L-prolyl)-L-prolyl]glycyl]-L-prolyl]-
CAS Number:
79679-74-6
Molecular Formula:
C24H36N6O7
Molecular Weight:
520.5786
IUPAC Name:
(2S)-1-[(2S)-1-[2-[[(2S)-1-[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C24H36N6O7/c25-13-19(31)27-9-2-6-16(27)22(34)29-11-1-5-15(29)21(33)26-14-20(32)28-10-3-7-17(28)23(35)30-12-4-8-18(30)24(36)37/h15-18H,1-14,25H2,(H,26,33)(H,36,37)/t15-,16-,17-,18-/m0/s1
InChI Key:
VUAJIYHRMGYNFQ-XSLAGTTESA-N
SMILES:
NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O
Properties
Complexity:
958
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
520.265g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
520.587g/mol
Monoisotopic Mass:
520.265g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
174A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.9
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