tert-butyl (2S)-2-[[(1R,2E)-2-[2-[[(2S)-2-azanylpropanoyl]amino]-1-fluoranyl-ethylidene]cyclopentyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: tert-butyl (2S)-2-[[(1R,2E)-2-[2-[[(2S)-2-azanylpropanoyl]amino]-1-fluoranyl-ethylidene]cyclopentyl]carbonylamino]-3-phenyl-propanoate Openeye Name: tert-butyl (2S)-2-[[(1R,2E)-2-[2-[[(2S)-2-aminopropanoyl]amino]-1-fluoro-ethylidene]cyclopentanecarbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[(1R,2E)-2-[2-[[(2S)-2-amino-1-oxopropyl]amino]-1-fluoroethylidene]cyclopentyl]-oxomethyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(1R,2E)-2-[2-[[(2S)-2-aminopropanoyl]amino]-1-fluoroethylidene]cyclopentanecarbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(1R,2E)-2-[2-[[(2S)-2-aminopropanoyl]amino]-1-fluoro-ethylidene]cyclopentanecarbonyl]amino]-3-phenyl-propionic acid tert-butyl ester Formula: C24H34FN3O4 MolecularWeight: 447.542863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(=C1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)OC(C)(C)C)F)N

Isomeric SMILES

C[C@@H](C(=O)NC/C(=C\1/CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC(C)(C)C)/F)N

InChI

InChI=1S/C24H34FN3O4/c1-15(26)21(29)27-14-19(25)17-11-8-12-18(17)22(30)28-20(23(31)32-24(2,3)4)13-16-9-6-5-7-10-16/h5-7,9-10,15,18,20H,8,11-14,26H2,1-4H3,(H,27,29)(H,28,30)/b19-17+/t15-,18+,20-/m0/s1