methyl (2S)-2-[[(2E)-2-hydroxyimino-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(2E)-2-hydroxyimino-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(2E)-2-hydroxyimino-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2E)-2-hydroxyimino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2E)-2-hydroxyimino-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2E)-2-hydroximino-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C(=NO)CC2=CNC3=CC=CC=C32

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)/C(=N/O)/CC2=CNC3=CC=CC=C32

InChI

InChI=1S/C21H21N3O4/c1-28-21(26)19(11-14-7-3-2-4-8-14)23-20(25)18(24-27)12-15-13-22-17-10-6-5-9-16(15)17/h2-10,13,19,22,27H,11-12H2,1H3,(H,23,25)/b24-18+/t19-/m0/s1