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

Systemtic Name: ethyl (E,4S)-7-oxidanylidene-4-[[(2S)-3-phenyl-2-[[(2R)-2-(phenylmethoxycarbonylamino)-3-(phenylmethylsulfanyl)propanoyl]amino]propanoyl]amino]-7-[(triphenylmethyl)amino]hept-2-enoate Openeye Name: ethyl (E,4S)-4-[[(2S)-2-[[(2R)-2-(benzyloxycarbonylamino)-3-benzylsulfanyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-7-oxo-7-(tritylamino)hept-2-enoate CAS Name: (E,4S)-7-oxo-4-[[(2S)-1-oxo-2-[[(2R)-1-oxo-2-(phenylmethoxycarbonylamino)-3-(phenylmethylthio)propyl]amino]-3-phenylpropyl]amino]-7-[(triphenylmethyl)amino]-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E,4S)-4-[[(2S)-2-[[(2R)-3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoyl]amino]-7-oxo-7-(tritylamino)hept-2-enoate Traditional Name: (E,4S)-4-[[(2S)-2-[[(2R)-2-(benzyloxycarbonylamino)-3-(benzylthio)propanoyl]amino]-3-phenyl-propanoyl]amino]-7-keto-7-(tritylamino)hept-2-enoic acid ethyl ester Formula: C55H56N4O7S MolecularWeight: 917.12074

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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=CC=C4)NC(=O)C(CSCC5=CC=CC=C5)NC(=O)OCC6=CC=CC=C6

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=CC=C4)NC(=O)[C@H](CSCC5=CC=CC=C5)NC(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C55H56N4O7S/c1-2-65-51(61)36-34-47(33-35-50(60)59-55(44-27-15-6-16-28-44,45-29-17-7-18-30-45)46-31-19-8-20-32-46)56-52(62)48(37-41-21-9-3-10-22-41)57-53(63)49(40-67-39-43-25-13-5-14-26-43)58-54(64)66-38-42-23-11-4-12-24-42/h3-32,34,36,47-49H,2,33,35,37-40H2,1H3,(H,56,62)(H,57,63)(H,58,64)(H,59,60)/b36-34+/t47-,48-,49-/m0/s1