tert-butyl (2S)-3-[[4-(3-methoxy-3-oxidanylidene-propyl)phenyl]carbonylamino]-2-(naphthalen-1-ylsulfonylamino)propanoate

Systemtic Name: tert-butyl (2S)-3-[[4-(3-methoxy-3-oxidanylidene-propyl)phenyl]carbonylamino]-2-(naphthalen-1-ylsulfonylamino)propanoate Openeye Name: tert-butyl (2S)-3-[[4-(3-methoxy-3-oxo-propyl)benzoyl]amino]-2-(1-naphthylsulfonylamino)propanoate CAS Name: (2S)-3-[[[4-(3-methoxy-3-oxopropyl)phenyl]-oxomethyl]amino]-2-(1-naphthalenylsulfonylamino)propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-3-[[4-(3-methoxy-3-oxopropyl)benzoyl]amino]-2-(naphthalen-1-ylsulfonylamino)propanoate Traditional Name: (2S)-3-[[4-(3-keto-3-methoxy-propyl)benzoyl]amino]-2-(1-naphthylsulfonylamino)propionic acid tert-butyl ester Formula: C28H32N2O7S MolecularWeight: 540.62788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CNC(=O)C1=CC=C(C=C1)CCC(=O)OC)NS(=O)(=O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CNC(=O)C1=CC=C(C=C1)CCC(=O)OC)NS(=O)(=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C28H32N2O7S/c1-28(2,3)37-27(33)23(30-38(34,35)24-11-7-9-20-8-5-6-10-22(20)24)18-29-26(32)21-15-12-19(13-16-21)14-17-25(31)36-4/h5-13,15-16,23,30H,14,17-18H2,1-4H3,(H,29,32)/t23-/m0/s1