2-[[3-(diphenylmethyl)sulfanyl-2-[(4-methoxyphenyl)methoxycarbonylamino]propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[3-(diphenylmethyl)sulfanyl-2-[(4-methoxyphenyl)methoxycarbonylamino]propanoyl]amino]ethanoic acid Openeye Name: 2-[[3-benzhydrylsulfanyl-2-[(4-methoxyphenyl)methoxycarbonylamino]propanoyl]amino]acetic acid CAS Name: 2-[[3-[(diphenylmethyl)thio]-2-[[(4-methoxyphenyl)methoxy-oxomethyl]amino]-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[[3-benzhydrylsulfanyl-2-[(4-methoxyphenyl)methoxycarbonylamino]propanoyl]amino]acetic acid Traditional Name: 2-[[3-(benzhydrylthio)-2-(p-anisyloxycarbonylamino)propanoyl]amino]acetic acid Formula: C27H28N2O6S MolecularWeight: 508.58602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)NC(CSC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)NC(CSC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NCC(=O)O

InChI

InChI=1S/C27H28N2O6S/c1-34-22-14-12-19(13-15-22)17-35-27(33)29-23(26(32)28-16-24(30)31)18-36-25(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,23,25H,16-18H2,1H3,(H,28,32)(H,29,33)(H,30,31)