(Z)-7-azanyl-2-(1H-indol-2-ylcarbonylamino)-7-oxidanylidene-hept-2-enoic acid

Systemtic Name: (Z)-7-azanyl-2-(1H-indol-2-ylcarbonylamino)-7-oxidanylidene-hept-2-enoic acid Openeye Name: (Z)-7-amino-2-(1H-indole-2-carbonylamino)-7-oxo-hept-2-enoic acid CAS Name: (Z)-7-amino-2-[[1H-indol-2-yl(oxo)methyl]amino]-7-oxo-2-heptenoic acid IUPAC Name: (Z)-7-amino-2-(1H-indole-2-carbonylamino)-7-oxohept-2-enoic acid Traditional Name: (Z)-7-amino-2-(1H-indole-2-carbonylamino)-7-keto-hept-2-enoic acid Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N2)C(=O)NC(=CCCCC(=O)N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N2)C(=O)N/C(=C\CCCC(=O)N)/C(=O)O

InChI

InChI=1S/C16H17N3O4/c17-14(20)8-4-3-7-12(16(22)23)19-15(21)13-9-10-5-1-2-6-11(10)18-13/h1-2,5-7,9,18H,3-4,8H2,(H2,17,20)(H,19,21)(H,22,23)/b12-7-