(phenylmethyl) (2S)-3-oxidanyl-2-[[(2S)-5-[phenylmethoxycarbonyl-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]amino]-2-[(2-phenylmethoxyphenyl)carbonylamino]pentanoyl]amino]butanoate

Systemtic Name: (phenylmethyl) (2S)-3-oxidanyl-2-[[(2S)-5-[phenylmethoxycarbonyl-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]amino]-2-[(2-phenylmethoxyphenyl)carbonylamino]pentanoyl]amino]butanoate Openeye Name: benzyl (2S)-2-[[(2S)-2-[(2-benzyloxybenzoyl)amino]-5-[benzyloxycarbonyl-[(E)-N'-benzyloxycarbonylcarbamimidoyl]amino]pentanoyl]amino]-3-hydroxy-butanoate CAS Name: (2S)-2-[[(2S)-5-[[(E)-amino(phenylmethoxycarbonylimino)methyl]-phenylmethoxycarbonylamino]-1-oxo-2-[[oxo-(2-phenylmethoxyphenyl)methyl]amino]pentyl]amino]-3-hydroxybutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-hydroxy-2-[[(2S)-2-[(2-phenylmethoxybenzoyl)amino]-5-[phenylmethoxycarbonyl-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]amino]pentanoyl]amino]butanoate Traditional Name: (2S)-2-[[(2S)-2-[(2-benzoxybenzoyl)amino]-5-[carbobenzoxy-[(E)-N'-carbobenzoxyamidino]amino]pentanoyl]amino]-3-hydroxy-butyric acid benzyl ester Formula: C47H49N5O10 MolecularWeight: 843.91946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)OCC1=CC=CC=C1)NC(=O)C(CCCN(C(=NC(=O)OCC2=CC=CC=C2)N)C(=O)OCC3=CC=CC=C3)NC(=O)C4=CC=CC=C4OCC5=CC=CC=C5)O

Isomeric SMILES

CC([C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)[C@H](CCCN(/C(=N/C(=O)OCC2=CC=CC=C2)/N)C(=O)OCC3=CC=CC=C3)NC(=O)C4=CC=CC=C4OCC5=CC=CC=C5)O

InChI

InChI=1S/C47H49N5O10/c1-33(53)41(44(56)60-30-35-19-8-3-9-20-35)50-43(55)39(49-42(54)38-25-14-15-27-40(38)59-29-34-17-6-2-7-18-34)26-16-28-52(47(58)62-32-37-23-12-5-13-24-37)45(48)51-46(57)61-31-36-21-10-4-11-22-36/h2-15,17-25,27,33,39,41,53H,16,26,28-32H2,1H3,(H,49,54)(H,50,55)(H2,48,51,57)/t33?,39-,41-/m0/s1