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141444-38-4 | Tryptophan, N-(3-carboxy-1-oxopropyl)-, potassium salt (1:2)
CAS No: 141444-38-4 Catalog No: AG001GDN MDL No:
Product Description
Catalog Number:
AG001GDN
Chemical Name:
Tryptophan, N-(3-carboxy-1-oxopropyl)-, potassium salt (1:2)
CAS Number:
141444-38-4
Molecular Formula:
C15H15K2N2O5+
Molecular Weight:
381.4866
IUPAC Name:
dipotassium;4-[[(1S)-1-carboxylato-2-(1H-indol-3-yl)ethyl]amino]-4-oxobutanoate
InChI:
InChI=1S/C15H16N2O5.2K/c18-13(5-6-14(19)20)17-12(15(21)22)7-9-8-16-11-4-2-1-3-10(9)11;;/h1-4,8,12,16H,5-7H2,(H,17,18)(H,19,20)(H,21,22);;/q;2*+1/p-2/t12-;;/m0../s1
InChI Key:
AYEKAHBGWYNCKW-LTCKWSDVSA-L
SMILES:
O=C(N[C@H](C(=O)[O-])Cc1c[nH]c2c1cccc2)CCC(=O)O.[K+].[K+]
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
380.018g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
380.483g/mol
Monoisotopic Mass:
380.018g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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