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150957-46-3 | Carbamic acid, [(1S)-1-[[[2,3-dioxo-1-(phenylmethyl)-3-(propylamino)propyl]amino]carbonyl]-3-methylbutyl]-, phenylmethyl ester (9CI)
CAS No: 150957-46-3 Catalog No: AG001MYD MDL No:
Product Description
Catalog Number:
AG001MYD
Chemical Name:
Carbamic acid, [(1S)-1-[[[2,3-dioxo-1-(phenylmethyl)-3-(propylamino)propyl]amino]carbonyl]-3-methylbutyl]-, phenylmethyl ester (9CI)
CAS Number:
150957-46-3
Molecular Formula:
C27H35N3O5
Molecular Weight:
481.5839
IUPAC Name:
benzyl N-[4-methyl-1-oxo-1-[[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]amino]pentan-2-yl]carbamate
InChI:
InChI=1S/C26H35N3O4/c1-4-15-27-24(30)23(17-20-11-7-5-8-12-20)28-25(31)22(16-19(2)3)29-26(32)33-18-21-13-9-6-10-14-21/h5-14,19,22-23H,4,15-18H2,1-3H3,(H,27,30)(H,28,31)(H,29,32)
InChI Key:
RLTVOGNGMKTPHA-UHFFFAOYSA-N
SMILES:
CCCNC(=O)C(=O)C(Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)CC(C)C
Properties
Complexity:
598
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
453.263g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
453.583g/mol
Monoisotopic Mass:
453.263g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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