ethyl (E,4S)-4-[[(2S)-3-(4-fluorophenyl)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoyl]amino]-7-oxidanylidene-7-[(triphenylmethyl)amino]hept-2-enoate

Systemtic Name: ethyl (E,4S)-4-[[(2S)-3-(4-fluorophenyl)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoyl]amino]-7-oxidanylidene-7-[(triphenylmethyl)amino]hept-2-enoate Openeye Name: ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-3-(4-fluorophenyl)propanoyl]amino]-7-oxo-7-(tritylamino)hept-2-enoate CAS Name: (E,4S)-4-[[(2S)-3-(4-fluorophenyl)-2-[[(2S)-4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-1-oxopropyl]amino]-7-oxo-7-[(triphenylmethyl)amino]-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E,4S)-4-[[(2S)-3-(4-fluorophenyl)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoyl]amino]-7-oxo-7-(tritylamino)hept-2-enoate Traditional Name: (E,4S)-4-[[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-3-(4-fluorophenyl)propanoyl]amino]-7-keto-7-(tritylamino)hept-2-enoic acid ethyl ester Formula: C51H55FN4O7 MolecularWeight: 855.003403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(CCC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C(CC4=CC=C(C=C4)F)NC(=O)C(CC(C)C)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)/C=C/[C@H](CCC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)[C@H](CC4=CC=C(C=C4)F)NC(=O)[C@H](CC(C)C)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C51H55FN4O7/c1-4-62-47(58)32-30-43(29-31-46(57)56-51(39-19-11-6-12-20-39,40-21-13-7-14-22-40)41-23-15-8-16-24-41)53-48(59)45(34-37-25-27-42(52)28-26-37)54-49(60)44(33-36(2)3)55-50(61)63-35-38-17-9-5-10-18-38/h5-28,30,32,36,43-45H,4,29,31,33-35H2,1-3H3,(H,53,59)(H,54,60)(H,55,61)(H,56,57)/b32-30+/t43-,44-,45-/m0/s1