About (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(cyclopropylmethyl)-4-oxo-4-(4,5,6,7-tetrahydro-1H-indol-2-yl)butanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-(cyclopropylmethyl)-4-oxo-4-(4,5,6,7-tetrahydro-1H-indol-2-yl)butanamide;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2R)-2-(cyclopropylmethyl)-4-oxo-4-(4,5,6,7-tetrahydro-1H-indol-2-yl)butanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-methylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid;hydrochloride
(2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(cyclopropylmethyl)-4-oxo-4-(4,5,6,7-tetrahydro-1H-indol-2-yl)butanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-(cyclopropylmethyl)-4-oxo-4-(4,5,6,7-tetrahydro-1H-indol-2-yl)butanamide;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2R)-2-(cyclopropylmethyl)-4-oxo-4-(4,5,6,7-tetrahydro-1H-indol-2-yl)butanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-methylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid;hydrochloride (PubChem CID 163876784) has the molecular formula C108H154ClN17O22
and a molecular weight of 2077.97 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(cyclopropylmethyl)-4-oxo-4-(4,5,6,7-tetrahydro-1H-indol-2-yl)butanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-(cyclopropylmethyl)-4-oxo-4-(4,5,6,7-tetrahydro-1H-indol-2-yl)butanamide;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2R)-2-(cyclopropylmethyl)-4-oxo-4-(4,5,6,7-tetrahydro-1H-indol-2-yl)butanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-methylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid;hydrochloride.
Frequently Asked Questions
What is the IUPAC name of (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(cyclopropylmethyl)-4-oxo-4-(4,5,6,7-tetrahydro-1H-indol-2-yl)butanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-(cyclopropylmethyl)-4-oxo-4-(4,5,6,7-tetrahydro-1H-indol-2-yl)butanamide;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2R)-2-(cyclopropylmethyl)-4-oxo-4-(4,5,6,7-tetrahydro-1H-indol-2-yl)butanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-methylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid;hydrochloride?
The IUPAC name of (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(cyclopropylmethyl)-4-oxo-4-(4,5,6,7-tetrahydro-1H-indol-2-yl)butanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-(cyclopropylmethyl)-4-oxo-4-(4,5,6,7-tetrahydro-1H-indol-2-yl)butanamide;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2R)-2-(cyclopropylmethyl)-4-oxo-4-(4,5,6,7-tetrahydro-1H-indol-2-yl)butanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-methylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid;hydrochloride (CID 163876784) is (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(cyclopropylmethyl)-4-oxo-4-(4,5,6,7-tetrahydro-1H-indol-2-yl)butanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-(cyclopropylmethyl)-4-oxo-4-(4,5,6,7-tetrahydro-1H-indol-2-yl)butanamide;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2R)-2-(cyclopropylmethyl)-4-oxo-4-(4,5,6,7-tetrahydro-1H-indol-2-yl)butanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-methylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(cyclopropylmethyl)-4-oxo-4-(4,5,6,7-tetrahydro-1H-indol-2-yl)butanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-(cyclopropylmethyl)-4-oxo-4-(4,5,6,7-tetrahydro-1H-indol-2-yl)butanamide;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2R)-2-(cyclopropylmethyl)-4-oxo-4-(4,5,6,7-tetrahydro-1H-indol-2-yl)butanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-methylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(cyclopropylmethyl)-4-oxo-4-(4,5,6,7-tetrahydro-1H-indol-2-yl)butanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-(cyclopropylmethyl)-4-oxo-4-(4,5,6,7-tetrahydro-1H-indol-2-yl)butanamide;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2R)-2-(cyclopropylmethyl)-4-oxo-4-(4,5,6,7-tetrahydro-1H-indol-2-yl)butanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-methylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid;hydrochloride is COC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](C)CC1CC1.COC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(=O)c1cc2c([nH]1)CCCC2)CC1CC1.COC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](N)CC1CC1.Cl.N#C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(=O)c1cc2c([nH]1)CCCC2)CC1CC1.NC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(=O)c1cc2c([nH]1)CCCC2)CC1CC1.O=C(O)c1cc2c([nH]1)CCCC2.
What is the InChIKey of (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(cyclopropylmethyl)-4-oxo-4-(4,5,6,7-tetrahydro-1H-indol-2-yl)butanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-(cyclopropylmethyl)-4-oxo-4-(4,5,6,7-tetrahydro-1H-indol-2-yl)butanamide;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2R)-2-(cyclopropylmethyl)-4-oxo-4-(4,5,6,7-tetrahydro-1H-indol-2-yl)butanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-methylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid;hydrochloride?
The InChIKey is KEOHNHSAIDWLII-RUXQTAQVSA-N. The full InChI is InChI=1S/C24H33N3O5.C23H32N4O4.C23H30N4O3.C15H24N2O4.C14H23N3O4.C9H11NO2.ClH/c1-32-24(31)20(12-16-8-9-25-22(16)29)27-23(30)17(10-14-6-7-14)13-21(28)19-11-15-4-2-3-5-18(15)26-19;24-21(29)19(11-15-7-8-25-22(15)30)27-23(31)16(9-13-5-6-13)12-20(28)18-10-14-3-1-2-4-17(14)26-18;24-13-18(10-16-7-8-25-22(16)29)26-23(30)17(9-14-5-6-14)12-21(28)20-11-15-3-1-2-4-19(15)27-20;1-9(7-10-3-4-10)13(18)17-12(15(20)21-2)8-11-5-6-16-14(11)19;1-21-14(20)11(7-9-4-5-16-12(9)18)17-13(19)10(15)6-8-2-3-8;11-9(12)8-5-6-3-1-2-4-7(6)10-8;/h11,14,16-17,20,26H,2-10,12-13H2,1H3,(H,25,29)(H,27,30);10,13,15-16,19,26H,1-9,11-12H2,(H2,24,29)(H,25,30)(H,27,31);11,14,16-18,27H,1-10,12H2,(H,25,29)(H,26,30);9-12H,3-8H2,1-2H3,(H,16,19)(H,17,18);8-11H,2-7,15H2,1H3,(H,16,18)(H,17,19);5,10H,1-4H2,(H,11,12);1H/t16-,17+,20-;15-,16+,19-;16-,17+,18-;9-,11-,12-;9-,10-,11-;;/m00000../s1.
What are the key properties of (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(cyclopropylmethyl)-4-oxo-4-(4,5,6,7-tetrahydro-1H-indol-2-yl)butanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-(cyclopropylmethyl)-4-oxo-4-(4,5,6,7-tetrahydro-1H-indol-2-yl)butanamide;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2R)-2-(cyclopropylmethyl)-4-oxo-4-(4,5,6,7-tetrahydro-1H-indol-2-yl)butanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-methylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid;hydrochloride?
(2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(cyclopropylmethyl)-4-oxo-4-(4,5,6,7-tetrahydro-1H-indol-2-yl)butanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-(cyclopropylmethyl)-4-oxo-4-(4,5,6,7-tetrahydro-1H-indol-2-yl)butanamide;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2R)-2-(cyclopropylmethyl)-4-oxo-4-(4,5,6,7-tetrahydro-1H-indol-2-yl)butanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-methylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid;hydrochloride has a molecular weight of 2077.97 g/mol, XLogP of 7.78, 44 rotatable bonds, 17 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(cyclopropylmethyl)-4-oxo-4-(4,5,6,7-tetrahydro-1H-indol-2-yl)butanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-(cyclopropylmethyl)-4-oxo-4-(4,5,6,7-tetrahydro-1H-indol-2-yl)butanamide;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2R)-2-(cyclopropylmethyl)-4-oxo-4-(4,5,6,7-tetrahydro-1H-indol-2-yl)butanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-methylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 163876784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).