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

Systemtic Name: 3-methyl-2-[[4-[[(4-naphthalen-2-yl-1,3-thiazol-2-yl)-prop-2-enyl-amino]methyl]phenyl]carbonylamino]butanoic acid Openeye Name: 2-[[4-[[allyl-[4-(2-naphthyl)thiazol-2-yl]amino]methyl]benzoyl]amino]-3-methyl-butanoic acid CAS Name: 3-methyl-2-[[[4-[[[4-(2-naphthalenyl)-2-thiazolyl]-prop-2-enylamino]methyl]phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[4-[[(4-naphthalen-2-yl-1,3-thiazol-2-yl)-prop-2-enylamino]methyl]benzoyl]amino]butanoic acid Traditional Name: 2-[[4-[[allyl-[4-(2-naphthyl)thiazol-2-yl]amino]methyl]benzoyl]amino]-3-methyl-butyric acid Formula: C29H29N3O3S MolecularWeight: 499.62386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(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)C(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/C29H29N3O3S/c1-4-15-32(17-20-9-11-22(12-10-20)27(33)31-26(19(2)3)28(34)35)29-30-25(18-36-29)24-14-13-21-7-5-6-8-23(21)16-24/h4-14,16,18-19,26H,1,15,17H2,2-3H3,(H,31,33)(H,34,35)