[(2S)-3-cyclohexyl-2-[[(2R)-2-[2-oxidanylidene-2-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]ethyl]pent-4-enoyl]amino]propyl] hept-6-enoate

Systemtic Name: [(2S)-3-cyclohexyl-2-[[(2R)-2-[2-oxidanylidene-2-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]ethyl]pent-4-enoyl]amino]propyl] hept-6-enoate Openeye Name: [(2S)-2-[[(2R)-2-[2-[[(1S)-1-benzyl-2-hydroxy-ethyl]amino]-2-oxo-ethyl]pent-4-enoyl]amino]-3-cyclohexyl-propyl] hept-6-enoate CAS Name: 6-heptenoic acid [(2S)-3-cyclohexyl-2-[[(2R)-2-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1-oxopent-4-enyl]amino]propyl] ester IUPAC Name: [(2S)-3-cyclohexyl-2-[[(2R)-2-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]propyl] hept-6-enoate Traditional Name: hept-6-enoic acid [(2S)-2-[[(2R)-2-[2-[[(1S)-1-benzyl-2-hydroxy-ethyl]amino]-2-keto-ethyl]pent-4-enoyl]amino]-3-cyclohexyl-propyl] ester Formula: C32H48N2O5 MolecularWeight: 540.73392

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCCC(=O)OCC(CC1CCCCC1)NC(=O)C(CC=C)CC(=O)NC(CC2=CC=CC=C2)CO

Isomeric SMILES

C=CCCCCC(=O)OC[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)CC(=O)N[C@@H](CC2=CC=CC=C2)CO

InChI

InChI=1S/C32H48N2O5/c1-3-5-6-13-19-31(37)39-24-29(21-26-17-11-8-12-18-26)34-32(38)27(14-4-2)22-30(36)33-28(23-35)20-25-15-9-7-10-16-25/h3-4,7,9-10,15-16,26-29,35H,1-2,5-6,8,11-14,17-24H2,(H,33,36)(H,34,38)/t27-,28+,29+/m1/s1