N-[(5R)-6-amino-1-cyclopropyl-3,6-dioxo-5-[[(3S)-2-oxopiperidin-3-yl]methyl]hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[5-cyano-1-cyclopropyl-3-oxo-6-[(3S)-2-oxopiperidin-3-yl]hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide;3-cyclopropyl-2-[(4-methoxy-1H-indene-2-carbonyl)amino]propanoic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2R)-6-cyclopropyl-5-[(4-methoxy-1H-indene-2-carbonyl)amino]-4-oxo-2-[[(3S)-2-oxopiperidin-3-yl]methyl]hexanoate;methyl thiohypofluorite;hydrochloride

C106H137ClFN11O22S — CID 163687230

IUPACN-[(5R)-6-amino-1-cyclopropyl-3,6-dioxo-5-[[(3S)-2-oxopiperidin-3-yl]methyl]hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[5-cyano-1-cyclopropyl-3-oxo-6-[(3S)-2-oxopiperidin-3-yl]hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide;3-cyclopropyl-2-[(4-methoxy-1H-indene-2-carbonyl)amino]propanoic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2R)-6-cyclopropyl-5-[(4-methoxy-1H-indene-2-carbonyl)amino]-4-oxo-2-[[(3S)-2-oxopiperidin-3-yl]methyl]hexanoate;methyl thiohypofluorite;hydrochloride
SMILESCOC(=O)[C@@H](CC(=O)C(CC1CC1)NC(=O)C1=Cc2c(cccc2OC)C1)C[C@@H]1CCCNC1=O.COC(=O)[C@@H](N)C[C@@H]1CCCNC1=O.COc1cccc2c1C=C(C(=O)NC(CC1CC1)C(=O)CC(C#N)C[C@@H]1CCCNC1=O)C2.COc1cccc2c1C=C(C(=O)NC(CC1CC1)C(=O)C[C@@H](C[C@@H]1CCCNC1=O)C(N)=O)C2.COc1cccc2c1C=C(C(=O)NC(CC1CC1)C(=O)O)C2.CSF.Cl
InChIInChI=1S/C27H34N2O6.C26H33N3O5.C26H31N3O4.C17H19NO4.C9H16N2O3.CH3FS.ClH/c1-34-24-7-3-5-17-12-19(14-21(17)24)26(32)29-22(11-16-8-9-16)23(30)15-20(27(33)35-2)13-18-6-4-10-28-25(18)31;1-34-23-6-2-4-16-11-19(13-20(16)23)26(33)29-21(10-15-7-8-15)22(30)14-18(24(27)31)12-17-5-3-9-28-25(17)32;1-33-24-6-2-4-18-13-20(14-21(18)24)26(32)29-22(11-16-7-8-16)23(30)12-17(15-27)10-19-5-3-9-28-25(19)31;1-22-15-4-2-3-11-8-12(9-13(11)15)16(19)18-14(17(20)21)7-10-5-6-10;1-14-9(13)7(10)5-6-3-2-4-11-8(6)12;1-3-2;/h3,5,7,14,16,18,20,22H,4,6,8-13,15H2,1-2H3,(H,28,31)(H,29,32);2,4,6,13,15,17-18,21H,3,5,7-12,14H2,1H3,(H2,27,31)(H,28,32)(H,29,33);2,4,6,14,16-17,19,22H,3,5,7-13H2,1H3,(H,28,31)(H,29,32);2-4,9-10,14H,5-8H2,1H3,(H,18,19)(H,20,21);6-7H,2-5,10H2,1H3,(H,11,12);1H3;1H/t18-,20+,22?;17-,18+,21?;17?,19-,22?;;6-,7-;;/m000.0../s1
InChIKeyAVXLRSHZPKAETL-VXKJFARASA-N
MW2003.83 g/mol
LogP10.48
Rot. Bonds41

About N-[(5R)-6-amino-1-cyclopropyl-3,6-dioxo-5-[[(3S)-2-oxopiperidin-3-yl]methyl]hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[5-cyano-1-cyclopropyl-3-oxo-6-[(3S)-2-oxopiperidin-3-yl]hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide;3-cyclopropyl-2-[(4-methoxy-1H-indene-2-carbonyl)amino]propanoic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2R)-6-cyclopropyl-5-[(4-methoxy-1H-indene-2-carbonyl)amino]-4-oxo-2-[[(3S)-2-oxopiperidin-3-yl]methyl]hexanoate;methyl thiohypofluorite;hydrochloride

N-[(5R)-6-amino-1-cyclopropyl-3,6-dioxo-5-[[(3S)-2-oxopiperidin-3-yl]methyl]hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[5-cyano-1-cyclopropyl-3-oxo-6-[(3S)-2-oxopiperidin-3-yl]hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide;3-cyclopropyl-2-[(4-methoxy-1H-indene-2-carbonyl)amino]propanoic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2R)-6-cyclopropyl-5-[(4-methoxy-1H-indene-2-carbonyl)amino]-4-oxo-2-[[(3S)-2-oxopiperidin-3-yl]methyl]hexanoate;methyl thiohypofluorite;hydrochloride (PubChem CID 163687230) has the molecular formula C106H137ClFN11O22S and a molecular weight of 2003.83 g/mol. Its IUPAC name is N-[(5R)-6-amino-1-cyclopropyl-3,6-dioxo-5-[[(3S)-2-oxopiperidin-3-yl]methyl]hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[5-cyano-1-cyclopropyl-3-oxo-6-[(3S)-2-oxopiperidin-3-yl]hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide;3-cyclopropyl-2-[(4-methoxy-1H-indene-2-carbonyl)amino]propanoic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2R)-6-cyclopropyl-5-[(4-methoxy-1H-indene-2-carbonyl)amino]-4-oxo-2-[[(3S)-2-oxopiperidin-3-yl]methyl]hexanoate;methyl thiohypofluorite;hydrochloride.

Molecular Properties

Compound NameN-[(5R)-6-amino-1-cyclopropyl-3,6-dioxo-5-[[(3S)-2-oxopiperidin-3-yl]methyl]hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[5-cyano-1-cyclopropyl-3-oxo-6-[(3S)-2-oxopiperidin-3-yl]hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide;3-cyclopropyl-2-[(4-methoxy-1H-indene-2-carbonyl)amino]propanoic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2R)-6-cyclopropyl-5-[(4-methoxy-1H-indene-2-carbonyl)amino]-4-oxo-2-[[(3S)-2-oxopiperidin-3-yl]methyl]hexanoate;methyl thiohypofluorite;hydrochloride
PubChem CID163687230
Molecular FormulaC106H137ClFN11O22S
Molecular Weight2003.83 g/mol
Exact Mass2001.93
IUPAC NameN-[(5R)-6-amino-1-cyclopropyl-3,6-dioxo-5-[[(3S)-2-oxopiperidin-3-yl]methyl]hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[5-cyano-1-cyclopropyl-3-oxo-6-[(3S)-2-oxopiperidin-3-yl]hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide;3-cyclopropyl-2-[(4-methoxy-1H-indene-2-carbonyl)amino]propanoic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2R)-6-cyclopropyl-5-[(4-methoxy-1H-indene-2-carbonyl)amino]-4-oxo-2-[[(3S)-2-oxopiperidin-3-yl]methyl]hexanoate;methyl thiohypofluorite;hydrochloride
SMILESCOC(=O)[C@@H](CC(=O)C(CC1CC1)NC(=O)C1=Cc2c(cccc2OC)C1)C[C@@H]1CCCNC1=O.COC(=O)[C@@H](N)C[C@@H]1CCCNC1=O.COc1cccc2c1C=C(C(=O)NC(CC1CC1)C(=O)CC(C#N)C[C@@H]1CCCNC1=O)C2.COc1cccc2c1C=C(C(=O)NC(CC1CC1)C(=O)C[C@@H](C[C@@H]1CCCNC1=O)C(N)=O)C2.COc1cccc2c1C=C(C(=O)NC(CC1CC1)C(=O)O)C2.CSF.Cl
InChIInChI=1S/C27H34N2O6.C26H33N3O5.C26H31N3O4.C17H19NO4.C9H16N2O3.CH3FS.ClH/c1-34-24-7-3-5-17-12-19(14-21(17)24)26(32)29-22(11-16-8-9-16)23(30)15-20(27(33)35-2)13-18-6-4-10-28-25(18)31;1-34-23-6-2-4-16-11-19(13-20(16)23)26(33)29-21(10-15-7-8-15)22(30)14-18(24(27)31)12-17-5-3-9-28-25(17)32;1-33-24-6-2-4-18-13-20(14-21(18)24)26(32)29-22(11-16-7-8-16)23(30)12-17(15-27)10-19-5-3-9-28-25(19)31;1-22-15-4-2-3-11-8-12(9-13(11)15)16(19)18-14(17(20)21)7-10-5-6-10;1-14-9(13)7(10)5-6-3-2-4-11-8(6)12;1-3-2;/h3,5,7,14,16,18,20,22H,4,6,8-13,15H2,1-2H3,(H,28,31)(H,29,32);2,4,6,13,15,17-18,21H,3,5,7-12,14H2,1H3,(H2,27,31)(H,28,32)(H,29,33);2,4,6,14,16-17,19,22H,3,5,7-13H2,1H3,(H,28,31)(H,29,32);2-4,9-10,14H,5-8H2,1H3,(H,18,19)(H,20,21);6-7H,2-5,10H2,1H3,(H,11,12);1H3;1H/t18-,20+,22?;17-,18+,21?;17?,19-,22?;;6-,7-;;/m000.0../s1
InChIKeyAVXLRSHZPKAETL-VXKJFARASA-N
XLogP10.48
TPSA503.73 Ų
H-Bond Donors11
H-Bond Acceptors24
Rotatable Bonds41
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002003.83
LogP ≤ 510.48
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1024

Analyze N-[(5R)-6-amino-1-cyclopropyl-3,6-dioxo-5-[[(3S)-2-oxopiperidin-3-yl]methyl]hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[5-cyano-1-cyclopropyl-3-oxo-6-[(3S)-2-oxopiperidin-3-yl]hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide;3-cyclopropyl-2-[(4-methoxy-1H-indene-2-carbonyl)amino]propanoic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2R)-6-cyclopropyl-5-[(4-methoxy-1H-indene-2-carbonyl)amino]-4-oxo-2-[[(3S)-2-oxopiperidin-3-yl]methyl]hexanoate;methyl thiohypofluorite;hydrochloride with MolForge

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Related Compounds

N-[(2R,5S)-5-cyano-1-cyclopropyl-3-oxo-6-[(3S)-2-oxopiperidin-3-yl]hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide
CID 163531371
N-[1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide
CID 167532470
N-[(2S)-1-[[(1R)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[(2R)-1-[[(1R)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[(2R)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide
CID 167604382
N-[(2S)-5-cyano-1-cyclopropyl-3-oxo-6-(2-oxoimidazolidin-1-yl)hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide
CID 163585312
N-[(2S)-4-[(3aR,6aR)-5-cyano-1,3-dioxo-3a,4,6,6a-tetrahydrocyclopenta[c]pyrrol-5-yl]-1-cyclopropyl-3-oxobutan-2-yl]-4-methoxy-1H-indene-2-carboxamide
CID 158507745
N-[1-[(8-cyano-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undecan-8-yl)amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide
CID 158163532
N-[1-[[(2S,6R)-8-cyano-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undecan-8-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide
CID 158163531
N-[(2S,5R)-6-amino-1-cyclopropyl-3,6-dioxo-5-[[(3S)-2-oxopiperidin-3-yl]methyl]hexan-2-yl]-6-chloro-1H-indole-2-carboxamide
CID 167654724
N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-chloro-4-methoxy-1H-indole-2-carboxamide;7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide;7-chloro-4-methoxy-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2-[(7-chloro-4-methoxy-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-methylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;hydrochloride
CID 167540175
N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 167691438
N-[(2S,5R)-5-cyano-1-cyclopropyl-3-oxo-6-[(3R)-2-oxopyrrolidin-3-yl]hexan-2-yl]-3H-imidazo[4,5-c]pyridine-2-carboxamide
CID 166749628
N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide;(2S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;4-methoxy-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[(4-methoxy-1H-indole-2-carbonyl)amino]propanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-methylpropanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-methyl-3-[(3R)-2-oxopyrrolidin-3-yl]propanoate;dihydrochloride
CID 163415741

Frequently Asked Questions

What is the IUPAC name of N-[(5R)-6-amino-1-cyclopropyl-3,6-dioxo-5-[[(3S)-2-oxopiperidin-3-yl]methyl]hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[5-cyano-1-cyclopropyl-3-oxo-6-[(3S)-2-oxopiperidin-3-yl]hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide;3-cyclopropyl-2-[(4-methoxy-1H-indene-2-carbonyl)amino]propanoic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2R)-6-cyclopropyl-5-[(4-methoxy-1H-indene-2-carbonyl)amino]-4-oxo-2-[[(3S)-2-oxopiperidin-3-yl]methyl]hexanoate;methyl thiohypofluorite;hydrochloride?
The IUPAC name of N-[(5R)-6-amino-1-cyclopropyl-3,6-dioxo-5-[[(3S)-2-oxopiperidin-3-yl]methyl]hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[5-cyano-1-cyclopropyl-3-oxo-6-[(3S)-2-oxopiperidin-3-yl]hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide;3-cyclopropyl-2-[(4-methoxy-1H-indene-2-carbonyl)amino]propanoic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2R)-6-cyclopropyl-5-[(4-methoxy-1H-indene-2-carbonyl)amino]-4-oxo-2-[[(3S)-2-oxopiperidin-3-yl]methyl]hexanoate;methyl thiohypofluorite;hydrochloride (CID 163687230) is N-[(5R)-6-amino-1-cyclopropyl-3,6-dioxo-5-[[(3S)-2-oxopiperidin-3-yl]methyl]hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[5-cyano-1-cyclopropyl-3-oxo-6-[(3S)-2-oxopiperidin-3-yl]hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide;3-cyclopropyl-2-[(4-methoxy-1H-indene-2-carbonyl)amino]propanoic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2R)-6-cyclopropyl-5-[(4-methoxy-1H-indene-2-carbonyl)amino]-4-oxo-2-[[(3S)-2-oxopiperidin-3-yl]methyl]hexanoate;methyl thiohypofluorite;hydrochloride.
What is the SMILES notation for N-[(5R)-6-amino-1-cyclopropyl-3,6-dioxo-5-[[(3S)-2-oxopiperidin-3-yl]methyl]hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[5-cyano-1-cyclopropyl-3-oxo-6-[(3S)-2-oxopiperidin-3-yl]hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide;3-cyclopropyl-2-[(4-methoxy-1H-indene-2-carbonyl)amino]propanoic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2R)-6-cyclopropyl-5-[(4-methoxy-1H-indene-2-carbonyl)amino]-4-oxo-2-[[(3S)-2-oxopiperidin-3-yl]methyl]hexanoate;methyl thiohypofluorite;hydrochloride?
The canonical SMILES for N-[(5R)-6-amino-1-cyclopropyl-3,6-dioxo-5-[[(3S)-2-oxopiperidin-3-yl]methyl]hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[5-cyano-1-cyclopropyl-3-oxo-6-[(3S)-2-oxopiperidin-3-yl]hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide;3-cyclopropyl-2-[(4-methoxy-1H-indene-2-carbonyl)amino]propanoic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2R)-6-cyclopropyl-5-[(4-methoxy-1H-indene-2-carbonyl)amino]-4-oxo-2-[[(3S)-2-oxopiperidin-3-yl]methyl]hexanoate;methyl thiohypofluorite;hydrochloride is COC(=O)[C@@H](CC(=O)C(CC1CC1)NC(=O)C1=Cc2c(cccc2OC)C1)C[C@@H]1CCCNC1=O.COC(=O)[C@@H](N)C[C@@H]1CCCNC1=O.COc1cccc2c1C=C(C(=O)NC(CC1CC1)C(=O)CC(C#N)C[C@@H]1CCCNC1=O)C2.COc1cccc2c1C=C(C(=O)NC(CC1CC1)C(=O)C[C@@H](C[C@@H]1CCCNC1=O)C(N)=O)C2.COc1cccc2c1C=C(C(=O)NC(CC1CC1)C(=O)O)C2.CSF.Cl.
What is the InChIKey of N-[(5R)-6-amino-1-cyclopropyl-3,6-dioxo-5-[[(3S)-2-oxopiperidin-3-yl]methyl]hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[5-cyano-1-cyclopropyl-3-oxo-6-[(3S)-2-oxopiperidin-3-yl]hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide;3-cyclopropyl-2-[(4-methoxy-1H-indene-2-carbonyl)amino]propanoic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2R)-6-cyclopropyl-5-[(4-methoxy-1H-indene-2-carbonyl)amino]-4-oxo-2-[[(3S)-2-oxopiperidin-3-yl]methyl]hexanoate;methyl thiohypofluorite;hydrochloride?
The InChIKey is AVXLRSHZPKAETL-VXKJFARASA-N. The full InChI is InChI=1S/C27H34N2O6.C26H33N3O5.C26H31N3O4.C17H19NO4.C9H16N2O3.CH3FS.ClH/c1-34-24-7-3-5-17-12-19(14-21(17)24)26(32)29-22(11-16-8-9-16)23(30)15-20(27(33)35-2)13-18-6-4-10-28-25(18)31;1-34-23-6-2-4-16-11-19(13-20(16)23)26(33)29-21(10-15-7-8-15)22(30)14-18(24(27)31)12-17-5-3-9-28-25(17)32;1-33-24-6-2-4-18-13-20(14-21(18)24)26(32)29-22(11-16-7-8-16)23(30)12-17(15-27)10-19-5-3-9-28-25(19)31;1-22-15-4-2-3-11-8-12(9-13(11)15)16(19)18-14(17(20)21)7-10-5-6-10;1-14-9(13)7(10)5-6-3-2-4-11-8(6)12;1-3-2;/h3,5,7,14,16,18,20,22H,4,6,8-13,15H2,1-2H3,(H,28,31)(H,29,32);2,4,6,13,15,17-18,21H,3,5,7-12,14H2,1H3,(H2,27,31)(H,28,32)(H,29,33);2,4,6,14,16-17,19,22H,3,5,7-13H2,1H3,(H,28,31)(H,29,32);2-4,9-10,14H,5-8H2,1H3,(H,18,19)(H,20,21);6-7H,2-5,10H2,1H3,(H,11,12);1H3;1H/t18-,20+,22?;17-,18+,21?;17?,19-,22?;;6-,7-;;/m000.0../s1.
What are the key properties of N-[(5R)-6-amino-1-cyclopropyl-3,6-dioxo-5-[[(3S)-2-oxopiperidin-3-yl]methyl]hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[5-cyano-1-cyclopropyl-3-oxo-6-[(3S)-2-oxopiperidin-3-yl]hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide;3-cyclopropyl-2-[(4-methoxy-1H-indene-2-carbonyl)amino]propanoic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2R)-6-cyclopropyl-5-[(4-methoxy-1H-indene-2-carbonyl)amino]-4-oxo-2-[[(3S)-2-oxopiperidin-3-yl]methyl]hexanoate;methyl thiohypofluorite;hydrochloride?
N-[(5R)-6-amino-1-cyclopropyl-3,6-dioxo-5-[[(3S)-2-oxopiperidin-3-yl]methyl]hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[5-cyano-1-cyclopropyl-3-oxo-6-[(3S)-2-oxopiperidin-3-yl]hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide;3-cyclopropyl-2-[(4-methoxy-1H-indene-2-carbonyl)amino]propanoic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2R)-6-cyclopropyl-5-[(4-methoxy-1H-indene-2-carbonyl)amino]-4-oxo-2-[[(3S)-2-oxopiperidin-3-yl]methyl]hexanoate;methyl thiohypofluorite;hydrochloride has a molecular weight of 2003.83 g/mol, XLogP of 10.48, 41 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-6-amino-1-cyclopropyl-3,6-dioxo-5-[[(3S)-2-oxopiperidin-3-yl]methyl]hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[5-cyano-1-cyclopropyl-3-oxo-6-[(3S)-2-oxopiperidin-3-yl]hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide;3-cyclopropyl-2-[(4-methoxy-1H-indene-2-carbonyl)amino]propanoic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2R)-6-cyclopropyl-5-[(4-methoxy-1H-indene-2-carbonyl)amino]-4-oxo-2-[[(3S)-2-oxopiperidin-3-yl]methyl]hexanoate;methyl thiohypofluorite;hydrochloride is sourced from PubChem (CID 163687230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).