2-[[2,6-dimethyl-4-(1-naphthalen-1-ylethylcarbamoyl)phenyl]carbonylamino]-3-(thiophen-2-ylcarbonylamino)propanoic acid

Systemtic Name: 2-[[2,6-dimethyl-4-(1-naphthalen-1-ylethylcarbamoyl)phenyl]carbonylamino]-3-(thiophen-2-ylcarbonylamino)propanoic acid Openeye Name: 2-[[2,6-dimethyl-4-[1-(1-naphthyl)ethylcarbamoyl]benzoyl]amino]-3-(thiophene-2-carbonylamino)propanoic acid CAS Name: 2-[[[2,6-dimethyl-4-[[1-(1-naphthalenyl)ethylamino]-oxomethyl]phenyl]-oxomethyl]amino]-3-[[oxo(thiophen-2-yl)methyl]amino]propanoic acid IUPAC Name: 2-[[2,6-dimethyl-4-(1-naphthalen-1-ylethylcarbamoyl)benzoyl]amino]-3-(thiophene-2-carbonylamino)propanoic acid Traditional Name: 2-[[2,6-dimethyl-4-[1-(1-naphthyl)ethylcarbamoyl]benzoyl]amino]-3-(2-thenoylamino)propionic acid Formula: C30H29N3O5S MolecularWeight: 543.63336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(=O)NC(CNC(=O)C2=CC=CS2)C(=O)O)C)C(=O)NC(C)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=CC(=C1C(=O)NC(CNC(=O)C2=CC=CS2)C(=O)O)C)C(=O)NC(C)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C30H29N3O5S/c1-17-14-21(27(34)32-19(3)22-11-6-9-20-8-4-5-10-23(20)22)15-18(2)26(17)29(36)33-24(30(37)38)16-31-28(35)25-12-7-13-39-25/h4-15,19,24H,16H2,1-3H3,(H,31,35)(H,32,34)(H,33,36)(H,37,38)