(phenylmethyl) 3-[2-[[2-azanyl-3-[(4-methoxyphenyl)methylsulfanyl]propanoyl]-[1-(diphenylmethyl)oxy-3-methyl-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]benzoate

Systemtic Name: (phenylmethyl) 3-[2-[[2-azanyl-3-[(4-methoxyphenyl)methylsulfanyl]propanoyl]-[1-(diphenylmethyl)oxy-3-methyl-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]benzoate Openeye Name: benzyl 3-[2-[[2-amino-3-[(4-methoxyphenyl)methylsulfanyl]propanoyl]-(1-benzhydryloxycarbonyl-2-methyl-propyl)amino]-2-oxo-ethyl]benzoate CAS Name: 3-[2-[[2-amino-3-[(4-methoxyphenyl)methylthio]-1-oxopropyl]-[1-(diphenylmethyl)oxy-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[2-[[2-amino-3-[(4-methoxyphenyl)methylsulfanyl]propanoyl]-(1-benzhydryloxy-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]benzoate Traditional Name: 3-[2-[[2-amino-3-(p-anisylthio)propanoyl]-(1-benzhydryloxycarbonyl-2-methyl-propyl)amino]-2-keto-ethyl]benzoic acid benzyl ester Formula: C45H46N2O7S MolecularWeight: 758.92094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2)N(C(=O)CC3=CC=CC(=C3)C(=O)OCC4=CC=CC=C4)C(=O)C(CSCC5=CC=C(C=C5)OC)N

Isomeric SMILES

CC(C)C(C(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2)N(C(=O)CC3=CC=CC(=C3)C(=O)OCC4=CC=CC=C4)C(=O)C(CSCC5=CC=C(C=C5)OC)N

InChI

InChI=1S/C45H46N2O7S/c1-31(2)41(45(51)54-42(35-17-9-5-10-18-35)36-19-11-6-12-20-36)47(43(49)39(46)30-55-29-33-22-24-38(52-3)25-23-33)40(48)27-34-16-13-21-37(26-34)44(50)53-28-32-14-7-4-8-15-32/h4-26,31,39,41-42H,27-30,46H2,1-3H3