3-[[4-[[2-(cyclohexen-1-yl)ethyl-(4-oxidanylideneindeno[1,2-d][1,3]thiazol-2-yl)amino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[2-(cyclohexen-1-yl)ethyl-(4-oxidanylideneindeno[1,2-d][1,3]thiazol-2-yl)amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[2-(cyclohexen-1-yl)ethyl-(4-oxoindeno[1,2-d]thiazol-2-yl)amino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[2-(1-cyclohexenyl)ethyl-(4-oxo-2-indeno[1,2-d]thiazolyl)amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[2-(cyclohexen-1-yl)ethyl-(4-oxoindeno[1,2-d][1,3]thiazol-2-yl)amino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[2-(cyclohexen-1-yl)ethyl-(4-ketoindeno[1,2-d]thiazol-2-yl)amino]methyl]benzoyl]amino]propionic acid Formula: C29H29N3O4S MolecularWeight: 515.62326

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCN(CC2=CC=C(C=C2)C(=O)NCCC(=O)O)C3=NC4=C(S3)C(=O)C5=CC=CC=C54

Isomeric SMILES

C1CCC(=CC1)CCN(CC2=CC=C(C=C2)C(=O)NCCC(=O)O)C3=NC4=C(S3)C(=O)C5=CC=CC=C54

InChI

InChI=1S/C29H29N3O4S/c33-24(34)14-16-30-28(36)21-12-10-20(11-13-21)18-32(17-15-19-6-2-1-3-7-19)29-31-25-22-8-4-5-9-23(22)26(35)27(25)37-29/h4-6,8-13H,1-3,7,14-18H2,(H,30,36)(H,33,34)