tert-butyl N-[(2S)-1-oxidanylidene-1-[[1-oxidanylidene-1-(8-oxidanyloctylamino)-3-phenyl-propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-oxidanylidene-1-[[1-oxidanylidene-1-(8-oxidanyloctylamino)-3-phenyl-propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-benzyl-2-[[1-benzyl-2-(8-hydroxyoctylamino)-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[[1-(8-hydroxyoctylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[[1-(8-hydroxyoctylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[(1S)-1-benzyl-2-[[1-benzyl-2-(8-hydroxyoctylamino)-2-keto-ethyl]amino]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C31H45N3O5 MolecularWeight: 539.7061

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NCCCCCCCCO

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NCCCCCCCCO

InChI

InChI=1S/C31H45N3O5/c1-31(2,3)39-30(38)34-27(23-25-18-12-9-13-19-25)29(37)33-26(22-24-16-10-8-11-17-24)28(36)32-20-14-6-4-5-7-15-21-35/h8-13,16-19,26-27,35H,4-7,14-15,20-23H2,1-3H3,(H,32,36)(H,33,37)(H,34,38)/t26?,27-/m0/s1