tert-butyl (2S)-2-azanyl-3-[[5-[4-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-yl-amino]butyl]-4,5-dihydro-1,2-oxazol-3-yl]carbonylamino]propanoate

Systemtic Name: tert-butyl (2S)-2-azanyl-3-[[5-[4-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-yl-amino]butyl]-4,5-dihydro-1,2-oxazol-3-yl]carbonylamino]propanoate Openeye Name: tert-butyl (2S)-2-amino-3-[[5-[4-[tert-butoxycarbonyl(2-pyridyl)amino]butyl]-4,5-dihydroisoxazole-3-carbonyl]amino]propanoate CAS Name: (2S)-2-amino-3-[[[5-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(2-pyridinyl)amino]butyl]-4,5-dihydroisoxazol-3-yl]-oxomethyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-amino-3-[[5-[4-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]butyl]-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]propanoate Traditional Name: (2S)-2-amino-3-[[5-[4-[tert-butoxycarbonyl(2-pyridyl)amino]butyl]-2-isoxazoline-3-carbonyl]amino]propionic acid tert-butyl ester Formula: C25H39N5O6 MolecularWeight: 505.60706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CNC(=O)C1=NOC(C1)CCCCN(C2=CC=CC=N2)C(=O)OC(C)(C)C)N

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CNC(=O)C1=NOC(C1)CCCCN(C2=CC=CC=N2)C(=O)OC(C)(C)C)N

InChI

InChI=1S/C25H39N5O6/c1-24(2,3)34-22(32)18(26)16-28-21(31)19-15-17(36-29-19)11-8-10-14-30(20-12-7-9-13-27-20)23(33)35-25(4,5)6/h7,9,12-13,17-18H,8,10-11,14-16,26H2,1-6H3,(H,28,31)/t17?,18-/m0/s1