tert-butyl (6E,8E)-10-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-10-oxidanylidene-deca-6,8-dien-2-ynoate

Systemtic Name: tert-butyl (6E,8E)-10-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-10-oxidanylidene-deca-6,8-dien-2-ynoate Openeye Name: tert-butyl (6E,8E)-10-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]amino]-10-oxo-deca-6,8-dien-2-ynoate CAS Name: (6E,8E)-10-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-10-oxodeca-6,8-dien-2-ynoic acid tert-butyl ester IUPAC Name: tert-butyl (6E,8E)-10-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-10-oxodeca-6,8-dien-2-ynoate Traditional Name: (6E,8E)-10-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]amino]-10-keto-deca-6,8-dien-2-ynoic acid tert-butyl ester Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C#CCCC=CC=CC(=O)NC(CC1=CC=CC=C1)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)C#CCC/C=C/C=C/C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N

InChI

InChI=1S/C23H28N2O4/c1-23(2,3)29-21(27)16-12-7-5-4-6-11-15-20(26)25-19(22(24)28)17-18-13-9-8-10-14-18/h4,6,8-11,13-15,19H,5,7,17H2,1-3H3,(H2,24,28)(H,25,26)/b6-4+,15-11+/t19-/m0/s1