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(2S)-2-[4-(1H-indol-3-yl)butanoylamino]butanedioate

(2S)-2-[4-(1H-indol-3-yl)butanoylamino]butanedioate

Systemtic Name:(2S)-2-[4-(1H-indol-3-yl)butanoylamino]butanedioate
Openeye Name:(2S)-2-[4-(1H-indol-3-yl)butanoylamino]butanedioate
CAS Name:(2S)-2-[[4-(1H-indol-3-yl)-1-oxobutyl]amino]butanedioate
IUPAC Name:(2S)-2-[4-(1H-indol-3-yl)butanoylamino]butanedioate
Traditional Name:(2S)-2-[4-(1H-indol-3-yl)butanoylamino]succinate
Formula: C16H16N2O5-2
MolecularWeight: 316.30864
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCCC(=O)NC(CC(=O)[O-])C(=O)[O-]


Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCCC(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]


InChI

InChI=1S/C16H18N2O5/c19-14(18-13(16(22)23)8-15(20)21)7-3-4-10-9-17-12-6-2-1-5-11(10)12/h1-2,5-6,9,13,17H,3-4,7-8H2,(H,18,19)(H,20,21)(H,22,23)/p-2/t13-/m0/s1


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