[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-2-[2-oxidanylidene-2-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]ethyl]pent-4-enoyl]amino]propyl] hex-5-enoate

Systemtic Name: [(2S)-3-(1H-indol-3-yl)-2-[[(2S)-2-[2-oxidanylidene-2-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]ethyl]pent-4-enoyl]amino]propyl] hex-5-enoate Openeye Name: [(2S)-2-[[(2S)-2-[2-[[(1S)-1-benzyl-2-hydroxy-ethyl]amino]-2-oxo-ethyl]pent-4-enoyl]amino]-3-(1H-indol-3-yl)propyl] hex-5-enoate CAS Name: 5-hexenoic acid [(2S)-2-[[(2S)-2-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1-oxopent-4-enyl]amino]-3-(1H-indol-3-yl)propyl] ester IUPAC Name: [(2S)-2-[[(2S)-2-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]-3-(1H-indol-3-yl)propyl] hex-5-enoate Traditional Name: hex-5-enoic acid [(2S)-2-[[(2S)-2-[2-[[(1S)-1-benzyl-2-hydroxy-ethyl]amino]-2-keto-ethyl]pent-4-enoyl]amino]-3-(1H-indol-3-yl)propyl] ester Formula: C33H41N3O5 MolecularWeight: 559.69574

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCC(=O)OCC(CC1=CNC2=CC=CC=C21)NC(=O)C(CC=C)CC(=O)NC(CC3=CC=CC=C3)CO

Isomeric SMILES

C=CCCCC(=O)OC[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@@H](CC=C)CC(=O)N[C@@H](CC3=CC=CC=C3)CO

InChI

InChI=1S/C33H41N3O5/c1-3-5-7-17-32(39)41-23-28(19-26-21-34-30-16-11-10-15-29(26)30)36-33(40)25(12-4-2)20-31(38)35-27(22-37)18-24-13-8-6-9-14-24/h3-4,6,8-11,13-16,21,25,27-28,34,37H,1-2,5,7,12,17-20,22-23H2,(H,35,38)(H,36,40)/t25-,27-,28-/m0/s1