(phenylmethyl) (2R)-3-[(4-methylphenyl)methylsulfanyl]-2-[[(2S)-2-[[(2R)-3-[(4-methylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoate

Systemtic Name: (phenylmethyl) (2R)-3-[(4-methylphenyl)methylsulfanyl]-2-[[(2S)-2-[[(2R)-3-[(4-methylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoate Openeye Name: benzyl (2R)-2-[[(2S)-2-[[(2R)-2-(tert-butoxycarbonylamino)-3-(p-tolylmethylsulfanyl)propanoyl]amino]propanoyl]amino]-3-(p-tolylmethylsulfanyl)propanoate CAS Name: (2R)-3-[(4-methylphenyl)methylthio]-2-[[(2S)-2-[[(2R)-3-[(4-methylphenyl)methylthio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-3-[(4-methylphenyl)methylsulfanyl]-2-[[(2S)-2-[[(2R)-3-[(4-methylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoate Traditional Name: (2R)-2-[[(2S)-2-[[(2R)-2-(tert-butoxycarbonylamino)-3-[(4-methylbenzyl)thio]propanoyl]amino]propanoyl]amino]-3-[(4-methylbenzyl)thio]propionic acid benzyl ester Formula: C37H47N3O6S2 MolecularWeight: 693.91558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC(C(=O)NC(C)C(=O)NC(CSCC2=CC=C(C=C2)C)C(=O)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CSCC2=CC=C(C=C2)C)C(=O)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C37H47N3O6S2/c1-25-12-16-29(17-13-25)21-47-23-31(40-36(44)46-37(4,5)6)34(42)38-27(3)33(41)39-32(24-48-22-30-18-14-26(2)15-19-30)35(43)45-20-28-10-8-7-9-11-28/h7-19,27,31-32H,20-24H2,1-6H3,(H,38,42)(H,39,41)(H,40,44)/t27-,31-,32-/m0/s1