(2S)-2-azanyl-6-[[(Z)-(5-bromanyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]amino]hexanoic acid

Systemtic Name: (2S)-2-azanyl-6-[[(Z)-(5-bromanyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]amino]hexanoic acid Openeye Name: (2S)-2-amino-6-[[(Z)-(5-bromo-2-oxo-indolin-3-ylidene)methyl]amino]hexanoic acid CAS Name: (2S)-2-amino-6-[[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]amino]hexanoic acid IUPAC Name: (2S)-2-amino-6-[[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]amino]hexanoic acid Traditional Name: (2S)-2-amino-6-[[(Z)-(5-bromo-2-keto-indolin-3-ylidene)methyl]amino]hexanoic acid Formula: C15H18BrN3O3 MolecularWeight: 368.22572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=CNCCCCC(C(=O)O)N)C(=O)N2

Isomeric SMILES

C1=CC2=C(C=C1Br)/C(=C/NCCCC[C@@H](C(=O)O)N)/C(=O)N2

InChI

InChI=1S/C15H18BrN3O3/c16-9-4-5-13-10(7-9)11(14(20)19-13)8-18-6-2-1-3-12(17)15(21)22/h4-5,7-8,12,18H,1-3,6,17H2,(H,19,20)(H,21,22)/b11-8-/t12-/m0/s1