(E)-2-[4-methylpentanoyl-[methylsulfonyl(naphthalen-1-yl)amino]amino]-5-phenyl-pent-4-enoic acid

Systemtic Name: (E)-2-[4-methylpentanoyl-[methylsulfonyl(naphthalen-1-yl)amino]amino]-5-phenyl-pent-4-enoic acid Openeye Name: (E)-2-[4-methylpentanoyl-[methylsulfonyl(1-naphthyl)amino]amino]-5-phenyl-pent-4-enoic acid CAS Name: (E)-2-[(4-methyl-1-oxopentyl)-[methylsulfonyl(1-naphthalenyl)amino]amino]-5-phenyl-4-pentenoic acid IUPAC Name: (E)-2-[4-methylpentanoyl-[methylsulfonyl(naphthalen-1-yl)amino]amino]-5-phenylpent-4-enoic acid Traditional Name: (E)-2-[[mesyl(1-naphthyl)amino]-(4-methylpentanoyl)amino]-5-phenyl-pent-4-enoic acid Formula: C28H32N2O5S MolecularWeight: 508.62908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)N(C(CC=CC1=CC=CC=C1)C(=O)O)N(C2=CC=CC3=CC=CC=C32)S(=O)(=O)C

Isomeric SMILES

CC(C)CCC(=O)N(C(C/C=C/C1=CC=CC=C1)C(=O)O)N(C2=CC=CC3=CC=CC=C32)S(=O)(=O)C

InChI

InChI=1S/C28H32N2O5S/c1-21(2)19-20-27(31)29(26(28(32)33)18-9-13-22-11-5-4-6-12-22)30(36(3,34)35)25-17-10-15-23-14-7-8-16-24(23)25/h4-17,21,26H,18-20H2,1-3H3,(H,32,33)/b13-9+