sodium 6-(phenylmethoxycarbonylamino)-2-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)methylsulfanyl]hexanoate

Systemtic Name: sodium 6-(phenylmethoxycarbonylamino)-2-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)methylsulfanyl]hexanoate Openeye Name: sodium 6-(benzyloxycarbonylamino)-2-[(1-benzyloxycarbonylpyrrolidin-2-yl)methylsulfanyl]hexanoate CAS Name: sodium 6-(phenylmethoxycarbonylamino)-2-[(1-phenylmethoxycarbonyl-2-pyrrolidinyl)methylthio]hexanoate IUPAC Name: sodium 6-(phenylmethoxycarbonylamino)-2-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)methylsulfanyl]hexanoate Traditional Name: sodium 6-(benzyloxycarbonylamino)-2-[(1-carbobenzoxypyrrolidin-2-yl)methylthio]hexanoate Formula: C27H33N2NaO6S MolecularWeight: 536.61549

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)CSC(CCCCNC(=O)OCC3=CC=CC=C3)C(=O)[O-].[Na+]

Isomeric SMILES

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)CSC(CCCCNC(=O)OCC3=CC=CC=C3)C(=O)[O-].[Na+]

InChI

InChI=1S/C27H34N2O6S.Na/c30-25(31)24(15-7-8-16-28-26(32)34-18-21-10-3-1-4-11-21)36-20-23-14-9-17-29(23)27(33)35-19-22-12-5-2-6-13-22;/h1-6,10-13,23-24H,7-9,14-20H2,(H,28,32)(H,30,31);/q;+1/p-1