[(2S)-3-cyclohexyl-2-[[(2R)-2-[2-[2-hydroxyethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]pent-4-enoyl]amino]propyl] (2R)-2-(phenylmethyl)hex-5-enoate

Systemtic Name: [(2S)-3-cyclohexyl-2-[[(2R)-2-[2-[2-hydroxyethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]pent-4-enoyl]amino]propyl] (2R)-2-(phenylmethyl)hex-5-enoate Openeye Name: [(2S)-2-[[(2R)-2-[2-[benzyl(2-hydroxyethyl)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-[2-hydroxyethyl-(phenylmethyl)amino]-2-oxoethyl]-1-oxopent-4-enyl]amino]propyl] ester IUPAC Name: [(2S)-2-[[(2R)-2-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]pent-4-enoyl]amino]-3-cyclohexylpropyl] (2R)-2-benzylhex-5-enoate Traditional Name: (2R)-2-benzylhex-5-enoic acid [(2S)-2-[[(2R)-2-[2-[benzyl(2-hydroxyethyl)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)N(CCO)CC3=CC=CC=C3

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(CCO)CC3=CC=CC=C3

InChI

InChI=1S/C38H52N2O5/c1-3-5-22-34(25-30-16-9-6-10-17-30)38(44)45-29-35(26-31-18-11-7-12-19-31)39-37(43)33(15-4-2)27-36(42)40(23-24-41)28-32-20-13-8-14-21-32/h3-4,6,8-10,13-14,16-17,20-21,31,33-35,41H,1-2,5,7,11-12,15,18-19,22-29H2,(H,39,43)/t33-,34-,35+/m1/s1