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88740-61-8 | L-Proline, N-[(1,1-dimethylethoxy)carbonyl]-L-leucyl-L-prolyl-L-leucyl-
CAS No: 88740-61-8 Catalog No: AG004CSH MDL No:
Product Description
Catalog Number:
AG004CSH
Chemical Name:
L-Proline, N-[(1,1-dimethylethoxy)carbonyl]-L-leucyl-L-prolyl-L-leucyl-
CAS Number:
88740-61-8
Molecular Formula:
C27H46N4O7
Molecular Weight:
538.6767
IUPAC Name:
1-[4-methyl-2-[[1-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C27H46N4O7/c1-16(2)14-18(23(33)31-13-9-11-21(31)25(35)36)28-22(32)20-10-8-12-30(20)24(34)19(15-17(3)4)29-26(37)38-27(5,6)7/h16-21H,8-15H2,1-7H3,(H,28,32)(H,29,37)(H,35,36)
InChI Key:
QZORSJIFNMAGNB-UHFFFAOYSA-N
SMILES:
CC(C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)CC(C)C)NC(=O)OC(C)(C)C)C
Properties
Complexity:
883
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
538.337g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
538.686g/mol
Monoisotopic Mass:
538.337g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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