[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-naphthalen-1-ylethanoylamino)butanoate

Systemtic Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-naphthalen-1-ylethanoylamino)butanoate Openeye Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] (2S)-3-methyl-2-[[2-(1-naphthyl)acetyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[2-(1-naphthalenyl)-1-oxoethyl]amino]butanoic acid [2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[[2-(1-naphthyl)acetyl]amino]butyric acid [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C28H32N2O4 MolecularWeight: 460.56468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)C(C(C)C)NC(=O)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)[C@H](C(C)C)NC(=O)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C28H32N2O4/c1-17(2)27(29-26(32)15-21-10-7-9-20-8-5-6-11-23(20)21)28(33)34-16-25(31)24-14-18(3)30(19(24)4)22-12-13-22/h5-11,14,17,22,27H,12-13,15-16H2,1-4H3,(H,29,32)/t27-/m0/s1