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114414-33-4 | L-Tryptophan, N-[N-(mercaptoacetyl)-L-valyl]- (9CI)
CAS No: 114414-33-4 Catalog No: AG000B9N MDL No:
Product Description
Catalog Number:
AG000B9N
Chemical Name:
L-Tryptophan, N-[N-(mercaptoacetyl)-L-valyl]- (9CI)
CAS Number:
114414-33-4
Molecular Formula:
C18H23N3O4S
Molecular Weight:
377.4579
IUPAC Name:
(2S)-3-(1H-indol-3-yl)-2-[[(2S)-3-methyl-2-[(2-sulfanylacetyl)amino]butanoyl]amino]propanoic acid
InChI:
InChI=1S/C18H23N3O4S/c1-10(2)16(21-15(22)9-26)17(23)20-14(18(24)25)7-11-8-19-13-6-4-3-5-12(11)13/h3-6,8,10,14,16,19,26H,7,9H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)/t14-,16-/m0/s1
InChI Key:
RBYREUQFTDUABN-HOCLYGCPSA-N
SMILES:
SCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)C(C)C
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
377.141g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
377.459g/mol
Monoisotopic Mass:
377.141g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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