methyl 2-[(2-azanyl-4-sulfanyl-butanoyl)-phenylmethoxycarbonyl-amino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[(2-azanyl-4-sulfanyl-butanoyl)-phenylmethoxycarbonyl-amino]-3-phenyl-propanoate Openeye Name: methyl 2-[(2-amino-4-sulfanyl-butanoyl)-benzyloxycarbonyl-amino]-3-phenyl-propanoate CAS Name: 2-[(2-amino-4-mercapto-1-oxobutyl)-phenylmethoxycarbonylamino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[(2-amino-4-sulfanylbutanoyl)-phenylmethoxycarbonylamino]-3-phenylpropanoate Traditional Name: 2-[(2-amino-4-mercapto-butanoyl)-carbobenzoxy-amino]-3-phenyl-propionic acid methyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)N(C(=O)C(CCS)N)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)N(C(=O)C(CCS)N)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O5S/c1-28-21(26)19(14-16-8-4-2-5-9-16)24(20(25)18(23)12-13-30)22(27)29-15-17-10-6-3-7-11-17/h2-11,18-19,30H,12-15,23H2,1H3