ethyl (E,4S)-4-[[(2S)-3-(4-fluorophenyl)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]-5-phenyl-pent-2-enoate

Systemtic Name: ethyl (E,4S)-4-[[(2S)-3-(4-fluorophenyl)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]-5-phenyl-pent-2-enoate Openeye Name: ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-3-(4-fluorophenyl)propanoyl]amino]-5-phenyl-pent-2-enoate CAS Name: (E,4S)-4-[[(2S)-3-(4-fluorophenyl)-2-[[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-1-oxopropyl]amino]-5-phenyl-2-pentenoic acid ethyl ester IUPAC Name: ethyl (E,4S)-4-[[(2S)-3-(4-fluorophenyl)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]-5-phenylpent-2-enoate Traditional Name: (E,4S)-4-[[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-3-(4-fluorophenyl)propanoyl]amino]-5-phenyl-pent-2-enoic acid ethyl ester Formula: C35H40FN3O6 MolecularWeight: 617.707003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(CC1=CC=CC=C1)NC(=O)C(CC2=CC=C(C=C2)F)NC(=O)C(C(C)C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)/C=C/[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=C(C=C2)F)NC(=O)[C@H](C(C)C)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C35H40FN3O6/c1-4-44-31(40)20-19-29(21-25-11-7-5-8-12-25)37-33(41)30(22-26-15-17-28(36)18-16-26)38-34(42)32(24(2)3)39-35(43)45-23-27-13-9-6-10-14-27/h5-20,24,29-30,32H,4,21-23H2,1-3H3,(H,37,41)(H,38,42)(H,39,43)/b20-19+/t29-,30+,32+/m1/s1