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88660-31-5 | L-Tryptophan, N-[2-(mercaptomethyl)-4-methyl-1-oxopentyl]-
CAS No: 88660-31-5 Catalog No: AG0047V7 MDL No:
Product Description
Catalog Number:
AG0047V7
Chemical Name:
L-Tryptophan, N-[2-(mercaptomethyl)-4-methyl-1-oxopentyl]-
CAS Number:
88660-31-5
Molecular Formula:
C18H24N2O3S
Molecular Weight:
348.4598
IUPAC Name:
3-(1H-indol-3-yl)-2-[[4-methyl-2-(sulfanylmethyl)pentanoyl]amino]propanoic acid
InChI:
InChI=1S/C18H24N2O3S/c1-11(2)7-13(10-24)17(21)20-16(18(22)23)8-12-9-19-15-6-4-3-5-14(12)15/h3-6,9,11,13,16,19,24H,7-8,10H2,1-2H3,(H,20,21)(H,22,23)
InChI Key:
PMEHBRFAMNGGEP-UHFFFAOYSA-N
SMILES:
SCC(C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)CC(C)C
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.151g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
348.461g/mol
Monoisotopic Mass:
348.151g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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