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88549-37-5 | L-Valinamide, N-[(1,1-dimethylethoxy)carbonyl]glycyl-5-oxo-L-prolyl-
CAS No: 88549-37-5 Catalog No: AG004CQ8 MDL No:
Product Description
Catalog Number:
AG004CQ8
Chemical Name:
L-Valinamide, N-[(1,1-dimethylethoxy)carbonyl]glycyl-5-oxo-L-prolyl-
CAS Number:
88549-37-5
Molecular Formula:
C17H28N4O6
Molecular Weight:
384.4274
IUPAC Name:
tert-butyl N-[2-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-5-oxopyrrolidin-1-yl]-2-oxoethyl]carbamate
InChI:
InChI=1S/C17H28N4O6/c1-9(2)13(14(18)24)20-15(25)10-6-7-11(22)21(10)12(23)8-19-16(26)27-17(3,4)5/h9-10,13H,6-8H2,1-5H3,(H2,18,24)(H,19,26)(H,20,25)
InChI Key:
QLYXMBNXNJCQRI-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC(=O)N1C(=O)CC[C@H]1C(=O)N[C@H](C(=O)N)C(C)C
Properties
Complexity:
625
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.201g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
384.433g/mol
Monoisotopic Mass:
384.201g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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