methyl (2S)-2-[2,6-bis(phenylmethoxycarbonylamino)hexanoylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl (2S)-2-[2,6-bis(phenylmethoxycarbonylamino)hexanoylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl (2S)-3-benzylsulfanyl-2-[2,6-bis(benzyloxycarbonylamino)hexanoylamino]propanoate CAS Name: (2S)-2-[[1-oxo-2,6-bis(phenylmethoxycarbonylamino)hexyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-benzylsulfanyl-2-[2,6-bis(phenylmethoxycarbonylamino)hexanoylamino]propanoate Traditional Name: (2S)-3-(benzylthio)-2-[2,6-bis(benzyloxycarbonylamino)hexanoylamino]propionic acid methyl ester Formula: C33H39N3O7S MolecularWeight: 621.74366

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSCC1=CC=CC=C1)NC(=O)C(CCCCNC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@@H](CSCC1=CC=CC=C1)NC(=O)C(CCCCNC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C33H39N3O7S/c1-41-31(38)29(24-44-23-27-17-9-4-10-18-27)35-30(37)28(36-33(40)43-22-26-15-7-3-8-16-26)19-11-12-20-34-32(39)42-21-25-13-5-2-6-14-25/h2-10,13-18,28-29H,11-12,19-24H2,1H3,(H,34,39)(H,35,37)(H,36,40)/t28?,29-/m1/s1