(2S)-5-azanyl-5-oxidanylidene-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylamino)pentanoate

Systemtic Name: (2S)-5-azanyl-5-oxidanylidene-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylamino)pentanoate Openeye Name: (2S)-5-amino-5-oxo-2-(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)pentanoate CAS Name: (2S)-5-amino-5-oxo-2-[[oxo(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]amino]pentanoate IUPAC Name: (2S)-5-amino-5-oxo-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)pentanoate Traditional Name: (2S)-5-amino-5-keto-2-(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)valerate Formula: C14H17N2O4S- MolecularWeight: 309.36078

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)NC(CCC(=O)N)C(=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)N[C@@H](CCC(=O)N)C(=O)[O-]

InChI

InChI=1S/C14H18N2O4S/c15-12(17)6-5-9(14(19)20)16-13(18)11-7-8-3-1-2-4-10(8)21-11/h7,9H,1-6H2,(H2,15,17)(H,16,18)(H,19,20)/p-1/t9-/m0/s1