2-[[2-[(4-tert-butylphenyl)methylamino]-4-methyl-pentanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid

Systemtic Name: 2-[[2-[(4-tert-butylphenyl)methylamino]-4-methyl-pentanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid Openeye Name: 3-(4-benzyloxyphenyl)-2-[[2-[(4-tert-butylphenyl)methylamino]-4-methyl-pentanoyl]amino]propanoic acid CAS Name: 2-[[2-[(4-tert-butylphenyl)methylamino]-4-methyl-1-oxopentyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid IUPAC Name: 2-[[2-[(4-tert-butylphenyl)methylamino]-4-methylpentanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid Traditional Name: 3-(4-benzoxyphenyl)-2-[[2-[(4-tert-butylbenzyl)amino]-4-methyl-pentanoyl]amino]propionic acid Formula: C33H42N2O4 MolecularWeight: 530.69758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)O)NCC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)O)NCC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C33H42N2O4/c1-23(2)19-29(34-21-25-11-15-27(16-12-25)33(3,4)5)31(36)35-30(32(37)38)20-24-13-17-28(18-14-24)39-22-26-9-7-6-8-10-26/h6-18,23,29-30,34H,19-22H2,1-5H3,(H,35,36)(H,37,38)