3-[(3-methoxyphenyl)carbonyl-[2-[3-methylbutyl-[2-oxidanylidene-2-[[4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]amino]ethyl]amino]-2-oxidanylidene-ethyl]amino]propanoic acid

Systemtic Name: 3-[(3-methoxyphenyl)carbonyl-[2-[3-methylbutyl-[2-oxidanylidene-2-[[4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]amino]ethyl]amino]-2-oxidanylidene-ethyl]amino]propanoic acid Openeye Name: 3-[[2-[[2-[4-(2-anilino-2-oxo-ethoxy)anilino]-2-oxo-ethyl]-isopentyl-amino]-2-oxo-ethyl]-(3-methoxybenzoyl)amino]propanoic acid CAS Name: 3-[[2-[[2-[4-(2-anilino-2-oxoethoxy)anilino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]-[(3-methoxyphenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-[[2-[4-(2-anilino-2-oxoethoxy)anilino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]-(3-methoxybenzoyl)amino]propanoic acid Traditional Name: 3-[[2-[[2-[4-(2-anilino-2-keto-ethoxy)anilino]-2-keto-ethyl]-isoamyl-amino]-2-keto-ethyl]-m-anisoyl-amino]propionic acid Formula: C34H40N4O8 MolecularWeight: 632.7034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC(=O)NC1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2)C(=O)CN(CCC(=O)O)C(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)CCN(CC(=O)NC1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2)C(=O)CN(CCC(=O)O)C(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C34H40N4O8/c1-24(2)16-18-37(32(41)22-38(19-17-33(42)43)34(44)25-8-7-11-29(20-25)45-3)21-30(39)35-27-12-14-28(15-13-27)46-23-31(40)36-26-9-5-4-6-10-26/h4-15,20,24H,16-19,21-23H2,1-3H3,(H,35,39)(H,36,40)(H,42,43)