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192520-55-1 | L-Proline, glycyl-L-prolyl-L-isoleucyl- (9CI)
CAS No: 192520-55-1 Catalog No: AG002G28 MDL No:
Product Description
Catalog Number:
AG002G28
Chemical Name:
L-Proline, glycyl-L-prolyl-L-isoleucyl- (9CI)
CAS Number:
192520-55-1
Molecular Formula:
C18H30N4O5
Molecular Weight:
382.4546
IUPAC Name:
(2S)-1-[(2S,3S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C18H30N4O5/c1-3-11(2)15(17(25)22-9-5-7-13(22)18(26)27)20-16(24)12-6-4-8-21(12)14(23)10-19/h11-13,15H,3-10,19H2,1-2H3,(H,20,24)(H,26,27)/t11-,12-,13-,15-/m0/s1
InChI Key:
ZLURPINKZRVIQG-ABHRYQDASA-N
SMILES:
CC[C@@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)CN)C
Properties
Complexity:
596
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
382.222g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
382.461g/mol
Monoisotopic Mass:
382.222g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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