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

Systemtic Name: 2-[[(2R)-2-[2-oxidanylidene-2-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]ethyl]pent-4-enoyl]amino]ethyl hept-6-enoate Openeye Name: 2-[[(2R)-2-[2-[[(1S)-1-benzyl-2-hydroxy-ethyl]amino]-2-oxo-ethyl]pent-4-enoyl]amino]ethyl hept-6-enoate CAS Name: 6-heptenoic acid 2-[[(2R)-2-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1-oxopent-4-enyl]amino]ethyl ester IUPAC Name: 2-[[(2R)-2-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]ethyl hept-6-enoate Traditional Name: hept-6-enoic acid 2-[[(2R)-2-[2-[[(1S)-1-benzyl-2-hydroxy-ethyl]amino]-2-keto-ethyl]pent-4-enoyl]amino]ethyl ester Formula: C25H36N2O5 MolecularWeight: 444.56374

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCCC(=O)OCCNC(=O)C(CC=C)CC(=O)NC(CC1=CC=CC=C1)CO

Isomeric SMILES

C=CCCCCC(=O)OCCNC(=O)[C@H](CC=C)CC(=O)N[C@@H](CC1=CC=CC=C1)CO

InChI

InChI=1S/C25H36N2O5/c1-3-5-6-10-14-24(30)32-16-15-26-25(31)21(11-4-2)18-23(29)27-22(19-28)17-20-12-8-7-9-13-20/h3-4,7-9,12-13,21-22,28H,1-2,5-6,10-11,14-19H2,(H,26,31)(H,27,29)/t21-,22+/m1/s1