(2S)-2-azanyl-5-oxidanylidene-5-[[4-(4-pyrrol-1-ylphenoxy)phenyl]amino]pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-oxidanylidene-5-[[4-(4-pyrrol-1-ylphenoxy)phenyl]amino]pentanoic acid Openeye Name: (2S)-2-amino-5-oxo-5-[4-(4-pyrrol-1-ylphenoxy)anilino]pentanoic acid CAS Name: (2S)-2-amino-5-oxo-5-[4-[4-(1-pyrrolyl)phenoxy]anilino]pentanoic acid IUPAC Name: (2S)-2-amino-5-oxo-5-[4-(4-pyrrol-1-ylphenoxy)anilino]pentanoic acid Traditional Name: (2S)-2-amino-5-keto-5-[4-(4-pyrrol-1-ylphenoxy)anilino]valeric acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=CC=C(C=C2)OC3=CC=C(C=C3)NC(=O)CCC(C(=O)O)N

Isomeric SMILES

C1=CN(C=C1)C2=CC=C(C=C2)OC3=CC=C(C=C3)NC(=O)CC[C@@H](C(=O)O)N

InChI

InChI=1S/C21H21N3O4/c22-19(21(26)27)11-12-20(25)23-15-3-7-17(8-4-15)28-18-9-5-16(6-10-18)24-13-1-2-14-24/h1-10,13-14,19H,11-12,22H2,(H,23,25)(H,26,27)/t19-/m0/s1