2-[[2-[2-(2-tert-butylphenoxy)ethanoylamino]-4-methyl-pentanoyl]amino]-3-[4-[4-(2-phenylethanoylamino)piperidin-1-yl]carbonyloxyphenyl]propanoic acid

Systemtic Name: 2-[[2-[2-(2-tert-butylphenoxy)ethanoylamino]-4-methyl-pentanoyl]amino]-3-[4-[4-(2-phenylethanoylamino)piperidin-1-yl]carbonyloxyphenyl]propanoic acid Openeye Name: 2-[[2-[[2-(2-tert-butylphenoxy)acetyl]amino]-4-methyl-pentanoyl]amino]-3-[4-[4-[(2-phenylacetyl)amino]piperidine-1-carbonyl]oxyphenyl]propanoic acid CAS Name: 2-[[2-[[2-(2-tert-butylphenoxy)-1-oxoethyl]amino]-4-methyl-1-oxopentyl]amino]-3-[4-[oxo-[4-[(1-oxo-2-phenylethyl)amino]-1-piperidinyl]methoxy]phenyl]propanoic acid IUPAC Name: 2-[[2-[[2-(2-tert-butylphenoxy)acetyl]amino]-4-methylpentanoyl]amino]-3-[4-[4-[(2-phenylacetyl)amino]piperidine-1-carbonyl]oxyphenyl]propanoic acid Traditional Name: 2-[[2-[[2-(2-tert-butylphenoxy)acetyl]amino]-4-methyl-pentanoyl]amino]-3-[4-[4-[(2-phenylacetyl)amino]piperidine-1-carbonyl]oxyphenyl]propionic acid Formula: C41H52N4O8 MolecularWeight: 728.87358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)OC(=O)N2CCC(CC2)NC(=O)CC3=CC=CC=C3)C(=O)O)NC(=O)COC4=CC=CC=C4C(C)(C)C

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)OC(=O)N2CCC(CC2)NC(=O)CC3=CC=CC=C3)C(=O)O)NC(=O)COC4=CC=CC=C4C(C)(C)C

InChI

InChI=1S/C41H52N4O8/c1-27(2)23-33(43-37(47)26-52-35-14-10-9-13-32(35)41(3,4)5)38(48)44-34(39(49)50)24-29-15-17-31(18-16-29)53-40(51)45-21-19-30(20-22-45)42-36(46)25-28-11-7-6-8-12-28/h6-18,27,30,33-34H,19-26H2,1-5H3,(H,42,46)(H,43,47)(H,44,48)(H,49,50)