(phenylmethyl) (2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxidanylidene-tetradecan-2-yl]amino]-3-phenyl-propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) (2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxidanylidene-tetradecan-2-yl]amino]-3-phenyl-propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylate Openeye Name: benzyl (2S,3aS,6aS)-1-[(2S)-2-[[(1S)-1-ethoxycarbonyltridecyl]amino]-3-phenyl-propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylate CAS Name: (2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxotetradecan-2-yl]amino]-1-oxo-3-phenylpropyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxotetradecan-2-yl]amino]-3-phenylpropanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylate Traditional Name: (2S,3aS,6aS)-1-[(2S)-2-[[(1S)-1-carbethoxytridecyl]amino]-3-phenyl-propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid benzyl ester Formula: C40H58N2O5 MolecularWeight: 646.89892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(=O)OCC)NC(CC1=CC=CC=C1)C(=O)N2C3CCCC3CC2C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCC[C@@H](C(=O)OCC)N[C@@H](CC1=CC=CC=C1)C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C40H58N2O5/c1-3-5-6-7-8-9-10-11-12-19-26-34(39(44)46-4-2)41-35(28-31-21-15-13-16-22-31)38(43)42-36-27-20-25-33(36)29-37(42)40(45)47-30-32-23-17-14-18-24-32/h13-18,21-24,33-37,41H,3-12,19-20,25-30H2,1-2H3/t33-,34-,35-,36-,37-/m0/s1