methyl (2S)-4-methylsulfanyl-2-[[4-[3-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]propanoylamino]phenyl]carbonylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[[4-[3-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]propanoylamino]phenyl]carbonylamino]butanoate Openeye Name: methyl (2S)-2-[[4-[3-[[(E)-3-(4-benzyloxyphenyl)prop-2-enoyl]amino]propanoylamino]benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo-[4-[[1-oxo-3-[[(E)-1-oxo-3-(4-phenylmethoxyphenyl)prop-2-enyl]amino]propyl]amino]phenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[[4-[3-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]propanoylamino]benzoyl]amino]butanoate Traditional Name: (2S)-2-[[4-[3-[[(E)-3-(4-benzoxyphenyl)acryloyl]amino]propanoylamino]benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C32H35N3O6S MolecularWeight: 589.7018

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC=C(C=C1)NC(=O)CCNC(=O)C=CC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=CC=C(C=C1)NC(=O)CCNC(=O)/C=C/C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C32H35N3O6S/c1-40-32(39)28(19-21-42-2)35-31(38)25-11-13-26(14-12-25)34-30(37)18-20-33-29(36)17-10-23-8-15-27(16-9-23)41-22-24-6-4-3-5-7-24/h3-17,28H,18-22H2,1-2H3,(H,33,36)(H,34,37)(H,35,38)/b17-10+/t28-/m0/s1