(2S)-2-acetamido-N-(2-azanyl-2-oxidanylidene-ethyl)-3-(4-butylphenyl)sulfanyl-propanamide

Systemtic Name: (2S)-2-acetamido-N-(2-azanyl-2-oxidanylidene-ethyl)-3-(4-butylphenyl)sulfanyl-propanamide Openeye Name: (2S)-2-acetamido-N-(2-amino-2-oxo-ethyl)-3-(4-butylphenyl)sulfanyl-propanamide CAS Name: (2S)-2-acetamido-N-(2-amino-2-oxoethyl)-3-[(4-butylphenyl)thio]propanamide IUPAC Name: (2S)-2-acetamido-N-(2-amino-2-oxoethyl)-3-(4-butylphenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-(2-amino-2-keto-ethyl)-3-[(4-butylphenyl)thio]propionamide Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)SCC(C(=O)NCC(=O)N)NC(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)SC[C@H](C(=O)NCC(=O)N)NC(=O)C

InChI

InChI=1S/C17H25N3O3S/c1-3-4-5-13-6-8-14(9-7-13)24-11-15(20-12(2)21)17(23)19-10-16(18)22/h6-9,15H,3-5,10-11H2,1-2H3,(H2,18,22)(H,19,23)(H,20,21)/t15-/m1/s1