2-[(3-ethoxy-3-oxidanylidene-propanoyl)-[(E)-2-methoxycarbonyl-3-(4-methoxycarbonylphenyl)prop-2-enyl]amino]-3-methyl-pentanoic acid

Systemtic Name: 2-[(3-ethoxy-3-oxidanylidene-propanoyl)-[(E)-2-methoxycarbonyl-3-(4-methoxycarbonylphenyl)prop-2-enyl]amino]-3-methyl-pentanoic acid Openeye Name: 2-[(3-ethoxy-3-oxo-propanoyl)-[(E)-2-methoxycarbonyl-3-(4-methoxycarbonylphenyl)allyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[(3-ethoxy-1,3-dioxopropyl)-[(E)-2-methoxycarbonyl-3-(4-methoxycarbonylphenyl)prop-2-enyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[(3-ethoxy-3-oxopropanoyl)-[(E)-2-methoxycarbonyl-3-(4-methoxycarbonylphenyl)prop-2-enyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[(E)-2-carbomethoxy-3-(4-carbomethoxyphenyl)allyl]-(3-ethoxy-3-keto-propanoyl)amino]-3-methyl-valeric acid Formula: C24H31NO9 MolecularWeight: 477.50424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)N(CC(=CC1=CC=C(C=C1)C(=O)OC)C(=O)OC)C(=O)CC(=O)OCC

Isomeric SMILES

CCC(C)C(C(=O)O)N(C/C(=C\C1=CC=C(C=C1)C(=O)OC)/C(=O)OC)C(=O)CC(=O)OCC

InChI

InChI=1S/C24H31NO9/c1-6-15(3)21(22(28)29)25(19(26)13-20(27)34-7-2)14-18(24(31)33-5)12-16-8-10-17(11-9-16)23(30)32-4/h8-12,15,21H,6-7,13-14H2,1-5H3,(H,28,29)/b18-12+