(2S)-2-azanyl-5-[[(E)-(5-bromanyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]amino]pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-[[(E)-(5-bromanyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]amino]pentanoic acid Openeye Name: (2S)-2-amino-5-[[(E)-(5-bromo-2-oxo-indolin-3-ylidene)methyl]amino]pentanoic acid CAS Name: (2S)-2-amino-5-[[(E)-(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]amino]pentanoic acid IUPAC Name: (2S)-2-amino-5-[[(E)-(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]amino]pentanoic acid Traditional Name: (2S)-2-amino-5-[[(E)-(5-bromo-2-keto-indolin-3-ylidene)methyl]amino]valeric acid Formula: C14H16BrN3O3 MolecularWeight: 354.19914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16BrN3O3/c15-8-3-4-12-9(6-8)10(13(19)18-12)7-17-5-1-2-11(16)14(20)21/h3-4,6-7,11,17H,1-2,5,16H2,(H,18,19)(H,20,21)/b10-7+/t11-/m0/s1