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(3S)-4-oxidanylidene-4-(phenethylamino)-3-(3-phenylpropylsulfonylamino)butanoic acid

(3S)-4-oxidanylidene-4-(phenethylamino)-3-(3-phenylpropylsulfonylamino)butanoic acid

Systemtic Name:(3S)-4-oxidanylidene-4-(phenethylamino)-3-(3-phenylpropylsulfonylamino)butanoic acid
Openeye Name:(3S)-4-oxo-4-(phenethylamino)-3-(3-phenylpropylsulfonylamino)butanoic acid
CAS Name:(3S)-4-oxo-4-(phenethylamino)-3-(3-phenylpropylsulfonylamino)butanoic acid
IUPAC Name:(3S)-4-oxo-4-(phenethylamino)-3-(3-phenylpropylsulfonylamino)butanoic acid
Traditional Name:(3S)-4-keto-4-(phenethylamino)-3-(3-phenylpropylsulfonylamino)butyric acid
Formula: C21H26N2O5S
MolecularWeight: 418.50654
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCS(=O)(=O)NC(CC(=O)O)C(=O)NCCC2=CC=CC=C2


Isomeric SMILES

C1=CC=C(C=C1)CCCS(=O)(=O)N[C@@H](CC(=O)O)C(=O)NCCC2=CC=CC=C2


InChI

InChI=1S/C21H26N2O5S/c24-20(25)16-19(21(26)22-14-13-18-10-5-2-6-11-18)23-29(27,28)15-7-12-17-8-3-1-4-9-17/h1-6,8-11,19,23H,7,12-16H2,(H,22,26)(H,24,25)/t19-/m0/s1


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