tert-butyl (2S)-4-azanyl-2-[[1-[[(2R)-2-azanyl-2-phenyl-ethanoyl]amino]cyclohexyl]carbonylamino]-4-oxidanylidene-butanoate

Systemtic Name: tert-butyl (2S)-4-azanyl-2-[[1-[[(2R)-2-azanyl-2-phenyl-ethanoyl]amino]cyclohexyl]carbonylamino]-4-oxidanylidene-butanoate Openeye Name: tert-butyl (2S)-4-amino-2-[[1-[[(2R)-2-amino-2-phenyl-acetyl]amino]cyclohexanecarbonyl]amino]-4-oxo-butanoate CAS Name: (2S)-4-amino-2-[[[1-[[(2R)-2-amino-1-oxo-2-phenylethyl]amino]cyclohexyl]-oxomethyl]amino]-4-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-4-amino-2-[[1-[[(2R)-2-amino-2-phenylacetyl]amino]cyclohexanecarbonyl]amino]-4-oxobutanoate Traditional Name: (2S)-4-amino-2-[[1-[[(2R)-2-amino-2-phenyl-acetyl]amino]cyclohexanecarbonyl]amino]-4-keto-butyric acid tert-butyl ester Formula: C23H34N4O5 MolecularWeight: 446.53986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC(=O)N)NC(=O)C1(CCCCC1)NC(=O)C(C2=CC=CC=C2)N

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC(=O)N)NC(=O)C1(CCCCC1)NC(=O)[C@@H](C2=CC=CC=C2)N

InChI

InChI=1S/C23H34N4O5/c1-22(2,3)32-20(30)16(14-17(24)28)26-21(31)23(12-8-5-9-13-23)27-19(29)18(25)15-10-6-4-7-11-15/h4,6-7,10-11,16,18H,5,8-9,12-14,25H2,1-3H3,(H2,24,28)(H,26,31)(H,27,29)/t16-,18+/m0/s1