(2S)-2-[2-[2-[[2,6-bis(chloranyl)phenyl]amino]phenyl]ethanoylamino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: (2S)-2-[2-[2-[[2,6-bis(chloranyl)phenyl]amino]phenyl]ethanoylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: (2S)-2-[[2-[2-(2,6-dichloroanilino)phenyl]acetyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: (2S)-2-[[2-[2-(2,6-dichloroanilino)phenyl]-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: (2S)-2-[[2-[2-(2,6-dichloroanilino)phenyl]acetyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: (2S)-2-[[2-[2-(2,6-dichloroanilino)phenyl]acetyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C25H21Cl2N3O3 MolecularWeight: 482.35854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)NC4=C(C=CC=C4Cl)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O)NC4=C(C=CC=C4Cl)Cl

InChI

InChI=1S/C25H21Cl2N3O3/c26-18-8-5-9-19(27)24(18)30-20-10-3-1-6-15(20)13-23(31)29-22(25(32)33)12-16-14-28-21-11-4-2-7-17(16)21/h1-11,14,22,28,30H,12-13H2,(H,29,31)(H,32,33)/t22-/m0/s1