(phenylmethyl) (2S,3aR,7aS)-1-[2-[[(2S)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate

Systemtic Name: (phenylmethyl) (2S,3aR,7aS)-1-[2-[[(2S)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate Openeye Name: benzyl (2S,3aR,7aS)-1-[2-[[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate CAS Name: (2S,3aR,7aS)-1-[2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-1-oxopropyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3aR,7aS)-1-[2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate Traditional Name: (2S,3aR,7aS)-1-[2-[[(1S)-1-carbethoxy-3-phenyl-propyl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid benzyl ester Formula: C31H40N2O5 MolecularWeight: 520.6597

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C3CCCCC3CC2C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@H](CCC1=CC=CC=C1)NC(C)C(=O)N2[C@H]3CCCC[C@@H]3C[C@H]2C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C31H40N2O5/c1-3-37-30(35)26(19-18-23-12-6-4-7-13-23)32-22(2)29(34)33-27-17-11-10-16-25(27)20-28(33)31(36)38-21-24-14-8-5-9-15-24/h4-9,12-15,22,25-28,32H,3,10-11,16-21H2,1-2H3/t22?,25-,26+,27+,28+/m1/s1