4-methyl-2-[[4-[[(4-naphthalen-2-yl-1,3-thiazol-2-yl)-prop-2-enyl-amino]methyl]phenyl]carbonylamino]pentanoic acid

Systemtic Name: 4-methyl-2-[[4-[[(4-naphthalen-2-yl-1,3-thiazol-2-yl)-prop-2-enyl-amino]methyl]phenyl]carbonylamino]pentanoic acid Openeye Name: 2-[[4-[[allyl-[4-(2-naphthyl)thiazol-2-yl]amino]methyl]benzoyl]amino]-4-methyl-pentanoic acid CAS Name: 4-methyl-2-[[[4-[[[4-(2-naphthalenyl)-2-thiazolyl]-prop-2-enylamino]methyl]phenyl]-oxomethyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[[4-[[(4-naphthalen-2-yl-1,3-thiazol-2-yl)-prop-2-enylamino]methyl]benzoyl]amino]pentanoic acid Traditional Name: 2-[[4-[[allyl-[4-(2-naphthyl)thiazol-2-yl]amino]methyl]benzoyl]amino]-4-methyl-valeric acid Formula: C30H31N3O3S MolecularWeight: 513.65044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1=CC=C(C=C1)CN(CC=C)C2=NC(=CS2)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C1=CC=C(C=C1)CN(CC=C)C2=NC(=CS2)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C30H31N3O3S/c1-4-15-33(30-32-27(19-37-30)25-14-13-22-7-5-6-8-24(22)17-25)18-21-9-11-23(12-10-21)28(34)31-26(29(35)36)16-20(2)3/h4-14,17,19-20,26H,1,15-16,18H2,2-3H3,(H,31,34)(H,35,36)