methyl (2S)-2-[[4-[bis(2-methylpropyl)carbamoyl]-2-propan-2-yloxy-phenyl]carbonylamino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[4-[bis(2-methylpropyl)carbamoyl]-2-propan-2-yloxy-phenyl]carbonylamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[4-(diisobutylcarbamoyl)-2-isopropoxy-benzoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[[4-[[bis(2-methylpropyl)amino]-oxomethyl]-2-propan-2-yloxyphenyl]-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-[bis(2-methylpropyl)carbamoyl]-2-propan-2-yloxybenzoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[4-(diisobutylcarbamoyl)-2-isopropoxy-benzoyl]amino]-3-methyl-butyric acid methyl ester Formula: C25H40N2O5 MolecularWeight: 448.5955

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C(=O)C1=CC(=C(C=C1)C(=O)NC(C(C)C)C(=O)OC)OC(C)C

Isomeric SMILES

CC(C)CN(CC(C)C)C(=O)C1=CC(=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)OC)OC(C)C

InChI

InChI=1S/C25H40N2O5/c1-15(2)13-27(14-16(3)4)24(29)19-10-11-20(21(12-19)32-18(7)8)23(28)26-22(17(5)6)25(30)31-9/h10-12,15-18,22H,13-14H2,1-9H3,(H,26,28)/t22-/m0/s1