2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1-carboxylic acid

Systemtic Name: 2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1-carboxylic acid Openeye Name: 2-[(4-hydroxy-4-oxo-butanoyl)amino]-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutanecarboxylic acid CAS Name: 2-[(4-hydroxy-1,4-dioxobutyl)amino]-3,4-bis[oxo-[(4-phenoxyphenyl)methyl-propylamino]methyl]-1-cyclobutanecarboxylic acid IUPAC Name: 2-[(4-hydroxy-4-oxobutanoyl)amino]-3,4-bis[(4-phenoxyphenyl)methyl-propylcarbamoyl]cyclobutane-1-carboxylic acid Traditional Name: 2-[(4-hydroxy-4-keto-butanoyl)amino]-3,4-bis[(4-phenoxybenzyl)-propyl-carbamoyl]cyclobutanecarboxylic acid Formula: C43H47N3O9 MolecularWeight: 749.84798

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)NC(=O)CCC(=O)O)C(=O)N(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)NC(=O)CCC(=O)O)C(=O)N(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C43H47N3O9/c1-3-25-45(27-29-15-19-33(20-16-29)54-31-11-7-5-8-12-31)41(50)37-38(40(39(37)43(52)53)44-35(47)23-24-36(48)49)42(51)46(26-4-2)28-30-17-21-34(22-18-30)55-32-13-9-6-10-14-32/h5-22,37-40H,3-4,23-28H2,1-2H3,(H,44,47)(H,48,49)(H,52,53)