ethyl 2-[[5-[bis(phenylmethoxycarbonylamino)methylideneamino]-1-[[(2S)-1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]pentan-2-yl]sulfonylamino]ethanoate

Systemtic Name: ethyl 2-[[5-[bis(phenylmethoxycarbonylamino)methylideneamino]-1-[[(2S)-1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]pentan-2-yl]sulfonylamino]ethanoate Openeye Name: ethyl 2-[[4-[bis(benzyloxycarbonylamino)methyleneamino]-1-[[[(2S)-1-[(2R)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]methyl]butyl]sulfonylamino]acetate CAS Name: 2-[[5-[bis(phenylmethoxycarbonylamino)methylideneamino]-1-[[[(2S)-1-[(2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinyl]-oxomethyl]amino]pentan-2-yl]sulfonylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[bis(phenylmethoxycarbonylamino)methylideneamino]-1-[[(2S)-1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]pentan-2-yl]sulfonylamino]acetate Traditional Name: 2-[[4-[bis(benzyloxycarbonylamino)methyleneamino]-1-[[[(2S)-1-[(2R)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]prolyl]amino]methyl]butyl]sulfonylamino]acetic acid ethyl ester Formula: C45H59N7O12S MolecularWeight: 922.05466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNS(=O)(=O)C(CCCN=C(NC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)CNC(=O)C3CCCN3C(=O)C(CC4=CC=CC=C4)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)CNS(=O)(=O)C(CCCN=C(NC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC4=CC=CC=C4)NC(=O)OC(C)(C)C

InChI

InChI=1S/C45H59N7O12S/c1-5-61-38(53)29-48-65(59,60)35(23-15-25-46-41(50-42(56)62-30-33-19-11-7-12-20-33)51-43(57)63-31-34-21-13-8-14-22-34)28-47-39(54)37-24-16-26-52(37)40(55)36(27-32-17-9-6-10-18-32)49-44(58)64-45(2,3)4/h6-14,17-22,35-37,48H,5,15-16,23-31H2,1-4H3,(H,47,54)(H,49,58)(H2,46,50,51,56,57)/t35?,36-,37+/m1/s1