methyl (2S)-2-[[5-(1-oxidanyl-3-phenyl-propyl)-1H-pyrrol-2-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[5-(1-oxidanyl-3-phenyl-propyl)-1H-pyrrol-2-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[5-(1-hydroxy-3-phenyl-propyl)-1H-pyrrole-2-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[5-(1-hydroxy-3-phenylpropyl)-1H-pyrrol-2-yl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[5-(1-hydroxy-3-phenylpropyl)-1H-pyrrole-2-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[5-(1-hydroxy-3-phenyl-propyl)-1H-pyrrole-2-carbonyl]amino]-3-phenyl-propionic acid methyl ester Formula: C24H26N2O4 MolecularWeight: 406.47424

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=C(N2)C(CCC3=CC=CC=C3)O

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CC=C(N2)C(CCC3=CC=CC=C3)O

InChI

InChI=1S/C24H26N2O4/c1-30-24(29)21(16-18-10-6-3-7-11-18)26-23(28)20-14-13-19(25-20)22(27)15-12-17-8-4-2-5-9-17/h2-11,13-14,21-22,25,27H,12,15-16H2,1H3,(H,26,28)/t21-,22?/m0/s1