methyl 6-azanyl-2-[[2-azanyl-3-(phenylmethylsulfanyl)propanoyl]-phenylmethoxycarbonyl-amino]hexanoate

Systemtic Name: methyl 6-azanyl-2-[[2-azanyl-3-(phenylmethylsulfanyl)propanoyl]-phenylmethoxycarbonyl-amino]hexanoate Openeye Name: methyl 6-amino-2-[(2-amino-3-benzylsulfanyl-propanoyl)-benzyloxycarbonyl-amino]hexanoate CAS Name: 6-amino-2-[[2-amino-1-oxo-3-(phenylmethylthio)propyl]-phenylmethoxycarbonylamino]hexanoic acid methyl ester IUPAC Name: methyl 6-amino-2-[(2-amino-3-benzylsulfanylpropanoyl)-phenylmethoxycarbonylamino]hexanoate Traditional Name: 6-amino-2-[[2-amino-3-(benzylthio)propanoyl]-carbobenzoxy-amino]hexanoic acid methyl ester Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCCN)N(C(=O)C(CSCC1=CC=CC=C1)N)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CCCCN)N(C(=O)C(CSCC1=CC=CC=C1)N)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H33N3O5S/c1-32-24(30)22(14-8-9-15-26)28(25(31)33-16-19-10-4-2-5-11-19)23(29)21(27)18-34-17-20-12-6-3-7-13-20/h2-7,10-13,21-22H,8-9,14-18,26-27H2,1H3