ethyl (2S)-2-[[(2S)-1-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-oxidanylidene-propan-2-yl]amino]-4-phenyl-butanoate

Systemtic Name: ethyl (2S)-2-[[(2S)-1-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-oxidanylidene-propan-2-yl]amino]-4-phenyl-butanoate Openeye Name: ethyl (2S)-2-[[(1S)-2-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-methyl-2-oxo-ethyl]amino]-4-phenyl-butanoate CAS Name: (2S)-2-[[(2S)-1-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-oxopropan-2-yl]amino]-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[(2S)-1-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-oxopropan-2-yl]amino]-4-phenylbutanoate Traditional Name: (2S)-2-[[(1S)-2-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-keto-1-methyl-ethyl]amino]-4-phenyl-butyric acid ethyl ester Formula: C23H34N2O3 MolecularWeight: 386.52766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CCC3C2CCCC3

Isomeric SMILES

CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2CC[C@@H]3[C@@H]2CCCC3

InChI

InChI=1S/C23H34N2O3/c1-3-28-23(27)20(14-13-18-9-5-4-6-10-18)24-17(2)22(26)25-16-15-19-11-7-8-12-21(19)25/h4-6,9-10,17,19-21,24H,3,7-8,11-16H2,1-2H3/t17-,19+,20-,21-/m0/s1