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119601-20-6 | L-Cysteine, S-methyl-N-[(4-morpholinylcarbonyl)-L-phenylalanyl]- (9CI)
CAS No: 119601-20-6 Catalog No: AG000P91 MDL No:
Product Description
Catalog Number:
AG000P91
Chemical Name:
L-Cysteine, S-methyl-N-[(4-morpholinylcarbonyl)-L-phenylalanyl]- (9CI)
CAS Number:
119601-20-6
Molecular Formula:
C18H25N3O5S
Molecular Weight:
395.4732
IUPAC Name:
3-methylsulfanyl-2-[[2-(morpholine-4-carbonylamino)-3-phenylpropanoyl]amino]propanoic acid
InChI:
InChI=1S/C18H25N3O5S/c1-27-12-15(17(23)24)19-16(22)14(11-13-5-3-2-4-6-13)20-18(25)21-7-9-26-10-8-21/h2-6,14-15H,7-12H2,1H3,(H,19,22)(H,20,25)(H,23,24)
InChI Key:
MFQWNCZLNFXEKB-UHFFFAOYSA-N
SMILES:
CSC[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.151g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
395.474g/mol
Monoisotopic Mass:
395.151g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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