(2S)-6-azanyl-2-[[3-[(4-nitrophenyl)sulfonylamino]thiophen-2-yl]carbonylamino]hexanoic acid

Systemtic Name: (2S)-6-azanyl-2-[[3-[(4-nitrophenyl)sulfonylamino]thiophen-2-yl]carbonylamino]hexanoic acid Openeye Name: (2S)-6-amino-2-[[3-[(4-nitrophenyl)sulfonylamino]thiophene-2-carbonyl]amino]hexanoic acid CAS Name: (2S)-6-amino-2-[[[3-[(4-nitrophenyl)sulfonylamino]-2-thiophenyl]-oxomethyl]amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[[3-[(4-nitrophenyl)sulfonylamino]thiophene-2-carbonyl]amino]hexanoic acid Traditional Name: (2S)-6-amino-2-[[3-(nosylamino)thiophene-2-carbonyl]amino]hexanoic acid Formula: C17H20N4O7S2 MolecularWeight: 456.4933

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)NC2=C(SC=C2)C(=O)NC(CCCCN)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)NC2=C(SC=C2)C(=O)N[C@@H](CCCCN)C(=O)O

InChI

InChI=1S/C17H20N4O7S2/c18-9-2-1-3-14(17(23)24)19-16(22)15-13(8-10-29-15)20-30(27,28)12-6-4-11(5-7-12)21(25)26/h4-8,10,14,20H,1-3,9,18H2,(H,19,22)(H,23,24)/t14-/m0/s1