tert-butyl N-[2-[3-[(2S)-3-(4-cyanophenoxy)-2-oxidanyl-propyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl]ethyl]carbamate; ethyl 2-[[(1R)-1-cyclohexyl-2-[(2S)-2-[[4-[(Z)-N'-oxidanylcarbamimidoyl]phenyl]methylcarbamoyl]azetidin-1-yl]-2-oxidanylidene-ethyl]amino]ethanoate

Systemtic Name: tert-butyl N-[2-[3-[(2S)-3-(4-cyanophenoxy)-2-oxidanyl-propyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl]ethyl]carbamate; ethyl 2-[[(1R)-1-cyclohexyl-2-[(2S)-2-[[4-[(Z)-N'-oxidanylcarbamimidoyl]phenyl]methylcarbamoyl]azetidin-1-yl]-2-oxidanylidene-ethyl]amino]ethanoate Openeye Name: tert-butyl N-[2-[3-[(2S)-3-(4-cyanophenoxy)-2-hydroxy-propyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl]ethyl]carbamate; ethyl 2-[[(1R)-1-cyclohexyl-2-[(2S)-2-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylcarbamoyl]azetidin-1-yl]-2-oxo-ethyl]amino]acetate CAS Name: 2-[[(1R)-2-[(2S)-2-[[[4-[(Z)-amino(hydroxyimino)methyl]phenyl]methylamino]-oxomethyl]-1-azetidinyl]-1-cyclohexyl-2-oxoethyl]amino]acetic acid ethyl ester; N-[2-[3-[(2S)-3-(4-cyanophenoxy)-2-hydroxypropyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[3-[(2S)-3-(4-cyanophenoxy)-2-hydroxypropyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl]ethyl]carbamate; ethyl 2-[[(1R)-1-cyclohexyl-2-[(2S)-2-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylcarbamoyl]azetidin-1-yl]-2-oxoethyl]amino]acetate Traditional Name: 2-[[(1R)-2-[(2S)-2-[[4-[(Z)-aminocarbohydroximoyl]benzyl]carbamoyl]azetidin-1-yl]-1-cyclohexyl-2-keto-ethyl]amino]acetic acid ethyl ester; N-[2-[3-[(2S)-3-(4-cyanophenoxy)-2-hydroxy-propyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl]ethyl]carbamic acid tert-butyl ester Formula: C47H69N9O10 MolecularWeight: 920.10506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(C1CCCCC1)C(=O)N2CCC2C(=O)NCC3=CC=C(C=C3)C(=NO)N.CC(C)(C)OC(=O)NCCN1CC2CN(CC(C1)O2)CC(COC3=CC=C(C=C3)C#N)O

Isomeric SMILES

CCOC(=O)CN[C@H](C1CCCCC1)C(=O)N2CC[C@H]2C(=O)NCC3=CC=C(C=C3)/C(=N/O)/N.CC(C)(C)OC(=O)NCCN1CC2CN(CC(C1)O2)C[C@@H](COC3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C24H35N5O5.C23H34N4O5/c1-2-34-20(30)15-26-21(17-6-4-3-5-7-17)24(32)29-13-12-19(29)23(31)27-14-16-8-10-18(11-9-16)22(25)28-33;1-23(2,3)32-22(29)25-8-9-26-12-20-14-27(15-21(13-26)31-20)11-18(28)16-30-19-6-4-17(10-24)5-7-19/h8-11,17,19,21,26,33H,2-7,12-15H2,1H3,(H2,25,28)(H,27,31);4-7,18,20-21,28H,8-9,11-16H2,1-3H3,(H,25,29)/t19-,21+;18-,20?,21?/m00/s1