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14611-16-6 | L-Valinamide, N-[(phenylmethoxy)carbonyl]glycyl-L-leucyl- (9CI)
CAS No: 14611-16-6 Catalog No: AG001DPF MDL No:
Product Description
Catalog Number:
AG001DPF
Chemical Name:
L-Valinamide, N-[(phenylmethoxy)carbonyl]glycyl-L-leucyl- (9CI)
CAS Number:
14611-16-6
Molecular Formula:
C21H32N4O5
Molecular Weight:
420.5026
IUPAC Name:
benzyl N-[2-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]carbamate
InChI:
InChI=1S/C21H32N4O5/c1-13(2)10-16(20(28)25-18(14(3)4)19(22)27)24-17(26)11-23-21(29)30-12-15-8-6-5-7-9-15/h5-9,13-14,16,18H,10-12H2,1-4H3,(H2,22,27)(H,23,29)(H,24,26)(H,25,28)/t16-,18-/m0/s1
InChI Key:
ODOBRGBLPHSZLU-WMZOPIPTSA-N
SMILES:
CC(C[C@@H](C(=O)N[C@H](C(=O)N)C(C)C)NC(=O)CNC(=O)OCc1ccccc1)C
Properties
Complexity:
588
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
420.237g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
420.51g/mol
Monoisotopic Mass:
420.237g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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