4-[[(3S)-5-methyl-2-oxidanyl-hexan-3-yl]-[3-(4-phenylphenyl)pyrrol-1-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[(3S)-5-methyl-2-oxidanyl-hexan-3-yl]-[3-(4-phenylphenyl)pyrrol-1-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(1S)-1-(1-hydroxyethyl)-3-methyl-butyl]-[3-(4-phenylphenyl)pyrrol-1-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[(3S)-2-hydroxy-5-methylhexan-3-yl]-[3-(4-phenylphenyl)-1-pyrrolyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[(3S)-2-hydroxy-5-methylhexan-3-yl]-[3-(4-phenylphenyl)pyrrol-1-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[(1S)-1-(1-hydroxyethyl)-3-methyl-butyl]-[3-(4-phenylphenyl)pyrrol-1-yl]amino]-4-keto-butyric acid Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C)O)N(C(=O)CCC(=O)O)N1C=CC(=C1)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@@H](C(C)O)N(C(=O)CCC(=O)O)N1C=CC(=C1)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H32N2O4/c1-19(2)17-25(20(3)30)29(26(31)13-14-27(32)33)28-16-15-24(18-28)23-11-9-22(10-12-23)21-7-5-4-6-8-21/h4-12,15-16,18-20,25,30H,13-14,17H2,1-3H3,(H,32,33)/t20?,25-/m0/s1