C148H200F3N31O12 — CID 159883894
(2R)-2-[[(2S)-2,4-diaminobutanoyl]amino]-4-phenyl-N-quinolin-3-ylbutanamide;(2S)-2,5-diamino-N-[(2R)-1-[methyl(quinolin-3-yl)amino]-1-oxo-4-phenylbutan-2-yl]pentanamide;(2S)-2,6-diamino-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]hexanamide;(2S)-2,5-diamino-N-[(2R)-1-oxo-4-phenyl-1-(quinoxalin-2-ylamino)butan-2-yl]pentanamide;(2S)-2,5-diamino-N-[(2R)-1-oxo-1-(quinolin-3-ylamino)-4-[4-(trifluoromethyl)phenyl]butan-2-yl]pentanamide;(2R)-2-[[(2S)-2,5-diaminopentanoyl]amino]-5-methyl-N-quinolin-3-ylhexanamide;methane (PubChem CID 159883894) has the molecular formula C148H200F3N31O12 and a molecular weight of 2662.43 g/mol. Its IUPAC name is (2R)-2-[[(2S)-2,4-diaminobutanoyl]amino]-4-phenyl-N-quinolin-3-ylbutanamide;(2S)-2,5-diamino-N-[(2R)-1-[methyl(quinolin-3-yl)amino]-1-oxo-4-phenylbutan-2-yl]pentanamide;(2S)-2,6-diamino-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]hexanamide;(2S)-2,5-diamino-N-[(2R)-1-oxo-4-phenyl-1-(quinoxalin-2-ylamino)butan-2-yl]pentanamide;(2S)-2,5-diamino-N-[(2R)-1-oxo-1-(quinolin-3-ylamino)-4-[4-(trifluoromethyl)phenyl]butan-2-yl]pentanamide;(2R)-2-[[(2S)-2,5-diaminopentanoyl]amino]-5-methyl-N-quinolin-3-ylhexanamide;methane.
| Compound Name | (2R)-2-[[(2S)-2,4-diaminobutanoyl]amino]-4-phenyl-N-quinolin-3-ylbutanamide;(2S)-2,5-diamino-N-[(2R)-1-[methyl(quinolin-3-yl)amino]-1-oxo-4-phenylbutan-2-yl]pentanamide;(2S)-2,6-diamino-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]hexanamide;(2S)-2,5-diamino-N-[(2R)-1-oxo-4-phenyl-1-(quinoxalin-2-ylamino)butan-2-yl]pentanamide;(2S)-2,5-diamino-N-[(2R)-1-oxo-1-(quinolin-3-ylamino)-4-[4-(trifluoromethyl)phenyl]butan-2-yl]pentanamide;(2R)-2-[[(2S)-2,5-diaminopentanoyl]amino]-5-methyl-N-quinolin-3-ylhexanamide;methane |
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| PubChem CID | 159883894 |
| Molecular Formula | C148H200F3N31O12 |
| Molecular Weight | 2662.43 g/mol |
| Exact Mass | 2660.59 |
| IUPAC Name | (2R)-2-[[(2S)-2,4-diaminobutanoyl]amino]-4-phenyl-N-quinolin-3-ylbutanamide;(2S)-2,5-diamino-N-[(2R)-1-[methyl(quinolin-3-yl)amino]-1-oxo-4-phenylbutan-2-yl]pentanamide;(2S)-2,6-diamino-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]hexanamide;(2S)-2,5-diamino-N-[(2R)-1-oxo-4-phenyl-1-(quinoxalin-2-ylamino)butan-2-yl]pentanamide;(2S)-2,5-diamino-N-[(2R)-1-oxo-1-(quinolin-3-ylamino)-4-[4-(trifluoromethyl)phenyl]butan-2-yl]pentanamide;(2R)-2-[[(2S)-2,5-diaminopentanoyl]amino]-5-methyl-N-quinolin-3-ylhexanamide;methane |
| SMILES | C.C.C.C.C.C.CC(C)CC[C@@H](NC(=O)[C@@H](N)CCCN)C(=O)Nc1cnc2ccccc2c1.CN(C(=O)[C@@H](CCc1ccccc1)NC(=O)[C@@H](N)CCCN)c1cnc2ccccc2c1.NCCCC[C@H](N)C(=O)N[C@H](CCc1ccccc1)C(=O)Nc1cnc2ccccc2c1.NCCC[C@H](N)C(=O)N[C@H](CCc1ccc(C(F)(F)F)cc1)C(=O)Nc1cnc2ccccc2c1.NCCC[C@H](N)C(=O)N[C@H](CCc1ccccc1)C(=O)Nc1cnc2ccccc2n1.NCC[C@H](N)C(=O)N[C@H](CCc1ccccc1)C(=O)Nc1cnc2ccccc2c1 |
| InChI | InChI=1S/C25H28F3N5O2.2C25H31N5O2.C23H28N6O2.C23H27N5O2.C21H31N5O2.6CH4/c26-25(27,28)18-10-7-16(8-11-18)9-12-22(33-23(34)20(30)5-3-13-29)24(35)32-19-14-17-4-1-2-6-21(17)31-15-19;1-30(20-16-19-10-5-6-12-22(19)28-17-20)25(32)23(14-13-18-8-3-2-4-9-18)29-24(31)21(27)11-7-15-26;26-15-7-6-11-21(27)24(31)30-23(14-13-18-8-2-1-3-9-18)25(32)29-20-16-19-10-4-5-12-22(19)28-17-20;24-14-6-9-17(25)22(30)28-20(13-12-16-7-2-1-3-8-16)23(31)29-21-15-26-18-10-4-5-11-19(18)27-21;24-13-12-19(25)22(29)28-21(11-10-16-6-2-1-3-7-16)23(30)27-18-14-17-8-4-5-9-20(17)26-15-18;1-14(2)9-10-19(26-20(27)17(23)7-5-11-22)21(28)25-16-12-15-6-3-4-8-18(15)24-13-16;;;;;;/h1-2,4,6-8,10-11,14-15,20,22H,3,5,9,12-13,29-30H2,(H,32,35)(H,33,34);2-6,8-10,12,16-17,21,23H,7,11,13-15,26-27H2,1H3,(H,29,31);1-5,8-10,12,16-17,21,23H,6-7,11,13-15,26-27H2,(H,29,32)(H,30,31);1-5,7-8,10-11,15,17,20H,6,9,12-14,24-25H2,(H,28,30)(H,27,29,31);1-9,14-15,19,21H,10-13,24-25H2,(H,27,30)(H,28,29);3-4,6,8,12-14,17,19H,5,7,9-11,22-23H2,1-2H3,(H,25,28)(H,26,27);6*1H4/t20-,22+;2*21-,23+;17-,20+;19-,21+;17-,19+;;;;;;/m000000....../s1 |
| InChIKey | NTWQBQVIBXDEFB-XOSRDERQSA-N |
| XLogP | 18.20 |
| TPSA | 742.88 Ų |
| H-Bond Donors | 23 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 60 |
| Heavy Atoms | 194 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2662.43 |
| LogP ≤ 5 | 18.20 |
| H-Bond Donors ≤ 5 | 23 |
| H-Bond Acceptors ≤ 10 | 31 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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