prop-2-enyl 2-[(2R,3R)-2-[2-[4-(aminomethyl)phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3R)-2-[2-[4-(formamidomethyl)phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3R)-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate

C210H229N10O29P5Si — CID 90879346

IUPACprop-2-enyl 2-[(2R,3R)-2-[2-[4-(aminomethyl)phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3R)-2-[2-[4-(formamidomethyl)phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3R)-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate
SMILESC=CCOC(=O)C(N1C(=O)[C@H](C(C)C)[C@H]1CC(=O)c1ccc(CN)cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1.C=CCOC(=O)C(N1C(=O)[C@H](C(C)C)[C@H]1CC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1.C=CCOC(=O)C(N1C(=O)[C@H](C(C)C)[C@H]1CC(=O)c1ccc(CNC=O)cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1.C=CCOC(=O)C(N1C(=O)[C@H]([C@@H](C)O)[C@H]1CC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1.C=CCOC(=O)C(N1C(=O)[C@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)[C@H]1CC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C48H59N2O7PSi.C43H47N2O6P.C42H45N2O7P.C39H39N2O5P.C38H39N2O4P/c1-11-31-55-45(53)44(58(37-21-15-12-16-22-37,38-23-17-13-18-24-38)39-25-19-14-20-26-39)50-40(42(43(50)52)34(2)57-59(9,10)48(6,7)8)32-41(51)36-29-27-35(28-30-36)33-49-46(54)56-47(3,4)5;1-7-27-50-41(48)40(52(33-17-11-8-12-18-33,34-19-13-9-14-20-34)35-21-15-10-16-22-35)45-36(38(30(2)3)39(45)47)28-37(46)32-25-23-31(24-26-32)29-44-42(49)51-43(4,5)6;1-6-26-50-40(48)39(52(32-16-10-7-11-17-32,33-18-12-8-13-19-33)34-20-14-9-15-21-34)44-35(37(29(2)45)38(44)47)27-36(46)31-24-22-30(23-25-31)28-43-41(49)51-42(3,4)5;1-4-24-46-39(45)38(47(31-14-8-5-9-15-31,32-16-10-6-11-17-32)33-18-12-7-13-19-33)41-34(36(28(2)3)37(41)44)25-35(43)30-22-20-29(21-23-30)26-40-27-42;1-4-24-44-38(43)37(40-33(35(27(2)3)36(40)42)25-34(41)29-22-20-28(26-39)21-23-29)45(30-14-8-5-9-15-30,31-16-10-6-11-17-31)32-18-12-7-13-19-32/h11-30,34,40,42H,1,31-33H2,2-10H3,(H,49,54);7-26,30,36,38H,1,27-29H2,2-6H3,(H,44,49);6-25,29,35,37,45H,1,26-28H2,2-5H3,(H,43,49);4-23,27-28,34,36H,1,24-26H2,2-3H3,(H,40,42);4-23,27,33,35H,1,24-26,39H2,2-3H3/t34-,40-,42-;36-,38-;29-,35-,37-;34-,36-;33-,35-/m11111/s1
InChIKeyXNEZYSLAMHOLQS-ZHZIDVTJSA-N
MW3540.14 g/mol
LogP30.24
Rot. Bonds67

About prop-2-enyl 2-[(2R,3R)-2-[2-[4-(aminomethyl)phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3R)-2-[2-[4-(formamidomethyl)phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3R)-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate

prop-2-enyl 2-[(2R,3R)-2-[2-[4-(aminomethyl)phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3R)-2-[2-[4-(formamidomethyl)phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3R)-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate (PubChem CID 90879346) has the molecular formula C210H229N10O29P5Si and a molecular weight of 3540.14 g/mol. Its IUPAC name is prop-2-enyl 2-[(2R,3R)-2-[2-[4-(aminomethyl)phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3R)-2-[2-[4-(formamidomethyl)phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3R)-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate.

Molecular Properties

Compound Nameprop-2-enyl 2-[(2R,3R)-2-[2-[4-(aminomethyl)phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3R)-2-[2-[4-(formamidomethyl)phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3R)-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate
PubChem CID90879346
Molecular FormulaC210H229N10O29P5Si
Molecular Weight3540.14 g/mol
Exact Mass3537.52
IUPAC Nameprop-2-enyl 2-[(2R,3R)-2-[2-[4-(aminomethyl)phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3R)-2-[2-[4-(formamidomethyl)phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3R)-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate
SMILESC=CCOC(=O)C(N1C(=O)[C@H](C(C)C)[C@H]1CC(=O)c1ccc(CN)cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1.C=CCOC(=O)C(N1C(=O)[C@H](C(C)C)[C@H]1CC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1.C=CCOC(=O)C(N1C(=O)[C@H](C(C)C)[C@H]1CC(=O)c1ccc(CNC=O)cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1.C=CCOC(=O)C(N1C(=O)[C@H]([C@@H](C)O)[C@H]1CC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1.C=CCOC(=O)C(N1C(=O)[C@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)[C@H]1CC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C48H59N2O7PSi.C43H47N2O6P.C42H45N2O7P.C39H39N2O5P.C38H39N2O4P/c1-11-31-55-45(53)44(58(37-21-15-12-16-22-37,38-23-17-13-18-24-38)39-25-19-14-20-26-39)50-40(42(43(50)52)34(2)57-59(9,10)48(6,7)8)32-41(51)36-29-27-35(28-30-36)33-49-46(54)56-47(3,4)5;1-7-27-50-41(48)40(52(33-17-11-8-12-18-33,34-19-13-9-14-20-34)35-21-15-10-16-22-35)45-36(38(30(2)3)39(45)47)28-37(46)32-25-23-31(24-26-32)29-44-42(49)51-43(4,5)6;1-6-26-50-40(48)39(52(32-16-10-7-11-17-32,33-18-12-8-13-19-33)34-20-14-9-15-21-34)44-35(37(29(2)45)38(44)47)27-36(46)31-24-22-30(23-25-31)28-43-41(49)51-42(3,4)5;1-4-24-46-39(45)38(47(31-14-8-5-9-15-31,32-16-10-6-11-17-32)33-18-12-7-13-19-33)41-34(36(28(2)3)37(41)44)25-35(43)30-22-20-29(21-23-30)26-40-27-42;1-4-24-44-38(43)37(40-33(35(27(2)3)36(40)42)25-34(41)29-22-20-28(26-39)21-23-29)45(30-14-8-5-9-15-30,31-16-10-6-11-17-31)32-18-12-7-13-19-32/h11-30,34,40,42H,1,31-33H2,2-10H3,(H,49,54);7-26,30,36,38H,1,27-29H2,2-6H3,(H,44,49);6-25,29,35,37,45H,1,26-28H2,2-5H3,(H,43,49);4-23,27-28,34,36H,1,24-26H2,2-3H3,(H,40,42);4-23,27,33,35H,1,24-26,39H2,2-3H3/t34-,40-,42-;36-,38-;29-,35-,37-;34-,36-;33-,35-/m11111/s1
InChIKeyXNEZYSLAMHOLQS-ZHZIDVTJSA-N
XLogP30.24
TPSA517.97 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds67
Heavy Atoms255
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003540.14
LogP ≤ 530.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Analyze prop-2-enyl 2-[(2R,3R)-2-[2-[4-(aminomethyl)phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3R)-2-[2-[4-(formamidomethyl)phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3R)-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate with MolForge

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Launch Full Analysis

Related Compounds

prop-2-enyl 2-[(2R,3R)-2-[2-[4-(formamidomethyl)phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate
CID 58844289
prop-2-enyl 2-[(2R,3S)-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[2-[4-(ethylcarbamoylamino)phenyl]-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate
CID 173497361
prop-2-enyl 2-[(2R,3S)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[2-[3-[2-(methylamino)-2-oxoethyl]phenyl]-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate
CID 58844440
prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate
CID 58844183
prop-2-enyl 2-[(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-[2-oxo-2-[4-[2-oxo-2-(pyridin-4-ylamino)ethyl]phenyl]ethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate
CID 58844349
2-[4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxo-1-[2-oxo-2-prop-2-enoxy-1-(triphenyl-λ5-phosphanylidene)ethyl]azetidin-2-yl]acetyl]-2-(prop-2-enoxycarbonylamino)phenyl]acetic acid
CID 87924321
prop-2-enyl 2-[(2R,3S)-2-[2-[3-(aminomethyl)phenyl]-2-oxoethyl]-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3R)-2-[2-[3-[(methylcarbamoylamino)methyl]phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate
CID 162040659
2-[4-[2-[(2R,3S)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxo-1-[2-oxo-2-prop-2-enoxy-1-(triphenyl-λ5-phosphanylidene)ethyl]azetidin-2-yl]acetyl]-2-chlorophenyl]acetic acid
CID 140504662
prop-2-enyl 2-[(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-[2-oxo-2-[1-(2-phenylethyl)triazol-4-yl]ethyl]azetidin-1-yl]-2-(triphenyl-lambda5-phosphanylidene)acetate
CID 10509558
prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[2-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate
CID 10628856
prop-2-enyl 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxo-1-[2-oxo-2-prop-2-enoxy-1-(triphenyl-lambda5-phosphanylidene)ethyl]azetidin-2-yl]acetyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 15117215
prop-2-enyl 2-[(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-[2-oxo-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate
CID 139772807

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-[(2R,3R)-2-[2-[4-(aminomethyl)phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3R)-2-[2-[4-(formamidomethyl)phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3R)-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate?
The IUPAC name of prop-2-enyl 2-[(2R,3R)-2-[2-[4-(aminomethyl)phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3R)-2-[2-[4-(formamidomethyl)phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3R)-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate (CID 90879346) is prop-2-enyl 2-[(2R,3R)-2-[2-[4-(aminomethyl)phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3R)-2-[2-[4-(formamidomethyl)phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3R)-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate.
What is the SMILES notation for prop-2-enyl 2-[(2R,3R)-2-[2-[4-(aminomethyl)phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3R)-2-[2-[4-(formamidomethyl)phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3R)-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate?
The canonical SMILES for prop-2-enyl 2-[(2R,3R)-2-[2-[4-(aminomethyl)phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3R)-2-[2-[4-(formamidomethyl)phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3R)-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate is C=CCOC(=O)C(N1C(=O)[C@H](C(C)C)[C@H]1CC(=O)c1ccc(CN)cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1.C=CCOC(=O)C(N1C(=O)[C@H](C(C)C)[C@H]1CC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1.C=CCOC(=O)C(N1C(=O)[C@H](C(C)C)[C@H]1CC(=O)c1ccc(CNC=O)cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1.C=CCOC(=O)C(N1C(=O)[C@H]([C@@H](C)O)[C@H]1CC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1.C=CCOC(=O)C(N1C(=O)[C@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)[C@H]1CC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of prop-2-enyl 2-[(2R,3R)-2-[2-[4-(aminomethyl)phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3R)-2-[2-[4-(formamidomethyl)phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3R)-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate?
The InChIKey is XNEZYSLAMHOLQS-ZHZIDVTJSA-N. The full InChI is InChI=1S/C48H59N2O7PSi.C43H47N2O6P.C42H45N2O7P.C39H39N2O5P.C38H39N2O4P/c1-11-31-55-45(53)44(58(37-21-15-12-16-22-37,38-23-17-13-18-24-38)39-25-19-14-20-26-39)50-40(42(43(50)52)34(2)57-59(9,10)48(6,7)8)32-41(51)36-29-27-35(28-30-36)33-49-46(54)56-47(3,4)5;1-7-27-50-41(48)40(52(33-17-11-8-12-18-33,34-19-13-9-14-20-34)35-21-15-10-16-22-35)45-36(38(30(2)3)39(45)47)28-37(46)32-25-23-31(24-26-32)29-44-42(49)51-43(4,5)6;1-6-26-50-40(48)39(52(32-16-10-7-11-17-32,33-18-12-8-13-19-33)34-20-14-9-15-21-34)44-35(37(29(2)45)38(44)47)27-36(46)31-24-22-30(23-25-31)28-43-41(49)51-42(3,4)5;1-4-24-46-39(45)38(47(31-14-8-5-9-15-31,32-16-10-6-11-17-32)33-18-12-7-13-19-33)41-34(36(28(2)3)37(41)44)25-35(43)30-22-20-29(21-23-30)26-40-27-42;1-4-24-44-38(43)37(40-33(35(27(2)3)36(40)42)25-34(41)29-22-20-28(26-39)21-23-29)45(30-14-8-5-9-15-30,31-16-10-6-11-17-31)32-18-12-7-13-19-32/h11-30,34,40,42H,1,31-33H2,2-10H3,(H,49,54);7-26,30,36,38H,1,27-29H2,2-6H3,(H,44,49);6-25,29,35,37,45H,1,26-28H2,2-5H3,(H,43,49);4-23,27-28,34,36H,1,24-26H2,2-3H3,(H,40,42);4-23,27,33,35H,1,24-26,39H2,2-3H3/t34-,40-,42-;36-,38-;29-,35-,37-;34-,36-;33-,35-/m11111/s1.
What are the key properties of prop-2-enyl 2-[(2R,3R)-2-[2-[4-(aminomethyl)phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3R)-2-[2-[4-(formamidomethyl)phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3R)-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate?
prop-2-enyl 2-[(2R,3R)-2-[2-[4-(aminomethyl)phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3R)-2-[2-[4-(formamidomethyl)phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3R)-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate has a molecular weight of 3540.14 g/mol, XLogP of 30.24, 67 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-[(2R,3R)-2-[2-[4-(aminomethyl)phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3R)-2-[2-[4-(formamidomethyl)phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3R)-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate is sourced from PubChem (CID 90879346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).