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141075-60-7 | L-Threoninamide, N-[(phenylmethoxy)carbonyl]-L-valyl-N-methyl- (9CI)
CAS No: 141075-60-7 Catalog No: AG001FUS MDL No:
Product Description
Catalog Number:
AG001FUS
Chemical Name:
L-Threoninamide, N-[(phenylmethoxy)carbonyl]-L-valyl-N-methyl- (9CI)
CAS Number:
141075-60-7
Molecular Formula:
C18H27N3O5
Molecular Weight:
365.4241
IUPAC Name:
benzyl N-[1-[[3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
InChI:
InChI=1S/C18H27N3O5/c1-11(2)14(17(24)20-15(12(3)22)16(23)19-4)21-18(25)26-10-13-8-6-5-7-9-13/h5-9,11-12,14-15,22H,10H2,1-4H3,(H,19,23)(H,20,24)(H,21,25)
InChI Key:
HQDLJMTUNXTZKT-UHFFFAOYSA-N
SMILES:
CNC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](C(C)C)NC(=O)OCc1ccccc1
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.195g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
365.43g/mol
Monoisotopic Mass:
365.195g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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