3-(1H-imidazol-5-yl)-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]propanethioic S-acid

Systemtic Name: 3-(1H-imidazol-5-yl)-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]propanethioic S-acid Openeye Name: 3-(1H-imidazol-5-yl)-2-[[3-(1-naphthyl)-2-(1-naphthylmethyl)propanoyl]amino]propanethioic S-acid CAS Name: 3-(1H-imidazol-5-yl)-2-[[3-(1-naphthalenyl)-2-(1-naphthalenylmethyl)-1-oxopropyl]amino]propanethioic S-acid IUPAC Name: 3-(1H-imidazol-5-yl)-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]propanethioic S-acid Traditional Name: 3-(1H-imidazol-5-yl)-2-[[3-(1-naphthyl)-2-(1-naphthylmethyl)propanoyl]amino]thiopropionic acid Formula: C30H27N3O2S MolecularWeight: 493.61928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CC(CC3=CC=CC4=CC=CC=C43)C(=O)NC(CC5=CN=CN5)C(=O)S

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CC(CC3=CC=CC4=CC=CC=C43)C(=O)NC(CC5=CN=CN5)C(=O)S

InChI

InChI=1S/C30H27N3O2S/c34-29(33-28(30(35)36)17-25-18-31-19-32-25)24(15-22-11-5-9-20-7-1-3-13-26(20)22)16-23-12-6-10-21-8-2-4-14-27(21)23/h1-14,18-19,24,28H,15-17H2,(H,31,32)(H,33,34)(H,35,36)