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141056-50-0 | Glycinamide, N-[(phenylmethoxy)carbonyl]-L-phenylalanylglycyl- (9CI)
CAS No: 141056-50-0 Catalog No: AG001FT7 MDL No:
Product Description
Catalog Number:
AG001FT7
Chemical Name:
Glycinamide, N-[(phenylmethoxy)carbonyl]-L-phenylalanylglycyl- (9CI)
CAS Number:
141056-50-0
Molecular Formula:
C21H24N4O5
Molecular Weight:
412.4391
IUPAC Name:
benzyl N-[(2S)-1-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
InChI:
InChI=1S/C21H24N4O5/c22-18(26)12-23-19(27)13-24-20(28)17(11-15-7-3-1-4-8-15)25-21(29)30-14-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H2,22,26)(H,23,27)(H,24,28)(H,25,29)/t17-/m0/s1
InChI Key:
BCJNKAUKGAKPMI-KRWDZBQOSA-N
SMILES:
O=C([C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)NCC(=O)NCC(=O)N
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
412.175g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
412.446g/mol
Monoisotopic Mass:
412.175g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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