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

Systemtic Name: 2-[[4-[[(4-naphthalen-2-yl-1,3-thiazol-2-yl)-prop-2-enyl-amino]methyl]phenyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-[[allyl-[4-(2-naphthyl)thiazol-2-yl]amino]methyl]benzoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[4-[[[4-(2-naphthalenyl)-2-thiazolyl]-prop-2-enylamino]methyl]phenyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-[[(4-naphthalen-2-yl-1,3-thiazol-2-yl)-prop-2-enylamino]methyl]benzoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[4-[[allyl-[4-(2-naphthyl)thiazol-2-yl]amino]methyl]benzoyl]amino]-3-phenyl-propionic acid Formula: C33H29N3O3S MolecularWeight: 547.66666

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)O)C3=NC(=CS3)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C=CCN(CC1=CC=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)O)C3=NC(=CS3)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C33H29N3O3S/c1-2-18-36(33-35-30(22-40-33)28-17-16-25-10-6-7-11-27(25)20-28)21-24-12-14-26(15-13-24)31(37)34-29(32(38)39)19-23-8-4-3-5-9-23/h2-17,20,22,29H,1,18-19,21H2,(H,34,37)(H,38,39)