3-(1H-indol-3-yl)-2-[[3-naphthalen-2-yl-2-(sulfanylmethyl)butanoyl]amino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[[3-naphthalen-2-yl-2-(sulfanylmethyl)butanoyl]amino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[3-(2-naphthyl)-2-(sulfanylmethyl)butanoyl]amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[2-(mercaptomethyl)-3-(2-naphthalenyl)-1-oxobutyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[3-naphthalen-2-yl-2-(sulfanylmethyl)butanoyl]amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[2-(mercaptomethyl)-3-(2-naphthyl)butanoyl]amino]propionic acid Formula: C26H26N2O3S MolecularWeight: 446.56124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2C=C1)C(CS)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

CC(C1=CC2=CC=CC=C2C=C1)C(CS)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C26H26N2O3S/c1-16(18-11-10-17-6-2-3-7-19(17)12-18)22(15-32)25(29)28-24(26(30)31)13-20-14-27-23-9-5-4-8-21(20)23/h2-12,14,16,22,24,27,32H,13,15H2,1H3,(H,28,29)(H,30,31)