3-[(3-methoxyphenyl)carbonyl-[2-[3-methylbutyl-[2-oxidanylidene-2-[(5-oxidanylidene-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)amino]ethyl]amino]-2-oxidanylidene-ethyl]amino]propanoic acid

Systemtic Name: 3-[(3-methoxyphenyl)carbonyl-[2-[3-methylbutyl-[2-oxidanylidene-2-[(5-oxidanylidene-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)amino]ethyl]amino]-2-oxidanylidene-ethyl]amino]propanoic acid Openeye Name: 3-[[2-[isopentyl-[2-oxo-2-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)amino]ethyl]amino]-2-oxo-ethyl]-(3-methoxybenzoyl)amino]propanoic acid CAS Name: 3-[[(3-methoxyphenyl)-oxomethyl]-[2-[3-methylbutyl-[2-oxo-2-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)amino]ethyl]amino]-2-oxoethyl]amino]propanoic acid IUPAC Name: 3-[(3-methoxybenzoyl)-[2-[3-methylbutyl-[2-oxo-2-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)amino]ethyl]amino]-2-oxoethyl]amino]propanoic acid Traditional Name: 3-[[2-[isoamyl-[2-keto-2-[(5-keto-6,7,8,9-tetrahydrobenzocyclohepten-3-yl)amino]ethyl]amino]-2-keto-ethyl]-m-anisoyl-amino]propionic acid Formula: C31H39N3O7 MolecularWeight: 565.65726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC(=O)NC1=CC2=C(CCCCC2=O)C=C1)C(=O)CN(CCC(=O)O)C(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)CCN(CC(=O)NC1=CC2=C(CCCCC2=O)C=C1)C(=O)CN(CCC(=O)O)C(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C31H39N3O7/c1-21(2)13-15-33(19-28(36)32-24-12-11-22-7-4-5-10-27(35)26(22)18-24)29(37)20-34(16-14-30(38)39)31(40)23-8-6-9-25(17-23)41-3/h6,8-9,11-12,17-18,21H,4-5,7,10,13-16,19-20H2,1-3H3,(H,32,36)(H,38,39)