[(2S)-3-cyclohexyl-2-[[(2R)-2-[2-oxidanylidene-2-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]ethyl]pent-4-enoyl]amino]propyl] (2R)-2-(phenylmethyl)hex-5-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] (2R)-2-(phenylmethyl)hex-5-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] (2R)-2-benzylhex-5-enoate CAS Name: (2R)-2-(phenylmethyl)-5-hexenoic 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] (2R)-2-benzylhex-5-enoate Traditional Name: (2R)-2-benzylhex-5-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: C38H52N2O5 MolecularWeight: 616.82988

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC(CC1=CC=CC=C1)C(=O)OCC(CC2CCCCC2)NC(=O)C(CC=C)CC(=O)NC(CC3=CC=CC=C3)CO

Isomeric SMILES

C=CCC[C@H](CC1=CC=CC=C1)C(=O)OC[C@H](CC2CCCCC2)NC(=O)[C@H](CC=C)CC(=O)N[C@@H](CC3=CC=CC=C3)CO

InChI

InChI=1S/C38H52N2O5/c1-3-5-22-33(23-29-16-9-6-10-17-29)38(44)45-28-35(25-31-20-13-8-14-21-31)40-37(43)32(15-4-2)26-36(42)39-34(27-41)24-30-18-11-7-12-19-30/h3-4,6-7,9-12,16-19,31-35,41H,1-2,5,8,13-15,20-28H2,(H,39,42)(H,40,43)/t32-,33-,34+,35+/m1/s1