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

Systemtic Name: methyl (E,4S)-4-[[(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-phenyl-propanoyl]amino]-7-oxidanylidene-7-[(triphenylmethyl)amino]hept-2-enoate Openeye Name: methyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-7-oxo-7-(tritylamino)hept-2-enoate CAS Name: (E,4S)-4-[[(2S)-2-[[(2S)-4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-1-oxo-3-phenylpropyl]amino]-7-oxo-7-[(triphenylmethyl)amino]-2-heptenoic acid methyl ester IUPAC Name: methyl (E,4S)-4-[[(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-7-oxo-7-(tritylamino)hept-2-enoate Traditional Name: (E,4S)-4-[[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-7-keto-7-(tritylamino)hept-2-enoic acid methyl ester Formula: C50H54N4O7 MolecularWeight: 822.98636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCC(=O)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C=CC(=O)OC)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)/C=C/C(=O)OC)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C50H54N4O7/c1-36(2)33-43(53-49(59)61-35-38-21-11-5-12-22-38)48(58)52-44(34-37-19-9-4-10-20-37)47(57)51-42(30-32-46(56)60-3)29-31-45(55)54-50(39-23-13-6-14-24-39,40-25-15-7-16-26-40)41-27-17-8-18-28-41/h4-28,30,32,36,42-44H,29,31,33-35H2,1-3H3,(H,51,57)(H,52,58)(H,53,59)(H,54,55)/b32-30+/t42-,43-,44-/m0/s1