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18830-14-3 | L-Leucine, N-[N-[(phenylmethoxy)carbonyl]-S-(phenylmethyl)-L-cysteinyl]- (9CI)
CAS No: 18830-14-3 Catalog No: AG002GTN MDL No:
Product Description
Catalog Number:
AG002GTN
Chemical Name:
L-Leucine, N-[N-[(phenylmethoxy)carbonyl]-S-(phenylmethyl)-L-cysteinyl]- (9CI)
CAS Number:
18830-14-3
Molecular Formula:
C24H30N2O5S
Molecular Weight:
458.5704
IUPAC Name:
2-[[3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-methylpentanoic acid
InChI:
InChI=1S/C24H30N2O5S/c1-17(2)13-20(23(28)29)25-22(27)21(16-32-15-19-11-7-4-8-12-19)26-24(30)31-14-18-9-5-3-6-10-18/h3-12,17,20-21H,13-16H2,1-2H3,(H,25,27)(H,26,30)(H,28,29)
InChI Key:
GFHCAHUZQJBAMZ-UHFFFAOYSA-N
SMILES:
O=C(N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)CSCc1ccccc1)OCc1ccccc1
NSC Number:
164104
Properties
Complexity:
589
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
458.188g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
458.573g/mol
Monoisotopic Mass:
458.188g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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