(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-chloro-1H-indole-2-carboxamide;benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamate;6-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide;6-chloro-1H-indole-2-carboxylic acid

C91H114Cl3N19O17 — CID 163450553

IUPAC(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-chloro-1H-indole-2-carboxamide;benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamate;6-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide;6-chloro-1H-indole-2-carboxylic acid
SMILESN#C[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)c1cc2ccc(Cl)cc2[nH]1.NC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@@H](N)CC1CC1.NC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)OCc1ccccc1.NC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)c1cc2ccc(Cl)cc2[nH]1.O=C(O)c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C23H28ClN5O4.C23H26ClN5O3.C22H30N4O5.C14H24N4O3.C9H6ClNO2/c24-15-6-5-13-9-19(27-16(13)11-15)23(33)29-18(8-12-3-4-12)22(32)28-17(20(25)30)10-14-2-1-7-26-21(14)31;24-16-6-5-14-10-20(28-18(14)11-16)23(32)29-19(8-13-3-4-13)22(31)27-17(12-25)9-15-2-1-7-26-21(15)30;23-19(27)17(12-16-7-4-10-24-20(16)28)25-21(29)18(11-14-8-9-14)26-22(30)31-13-15-5-2-1-3-6-15;15-10(6-8-3-4-8)14(21)18-11(12(16)19)7-9-2-1-5-17-13(9)20;10-6-2-1-5-3-8(9(12)13)11-7(5)4-6/h5-6,9,11-12,14,17-18,27H,1-4,7-8,10H2,(H2,25,30)(H,26,31)(H,28,32)(H,29,33);5-6,10-11,13,15,17,19,28H,1-4,7-9H2,(H,26,30)(H,27,31)(H,29,32);1-3,5-6,14,16-18H,4,7-13H2,(H2,23,27)(H,24,28)(H,25,29)(H,26,30);8-11H,1-7,15H2,(H2,16,19)(H,17,20)(H,18,21);1-4,11H,(H,12,13)/t14-,17-,18-;15-,17-,19-;16-,17-,18-;9-,10-,11-;/m0000./s1
InChIKeyBGFOIHVHWHHXFM-QBQVVSEISA-N
MW1852.39 g/mol
LogP6.74
Rot. Bonds35

About (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-chloro-1H-indole-2-carboxamide;benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamate;6-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide;6-chloro-1H-indole-2-carboxylic acid

(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-chloro-1H-indole-2-carboxamide;benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamate;6-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide;6-chloro-1H-indole-2-carboxylic acid (PubChem CID 163450553) has the molecular formula C91H114Cl3N19O17 and a molecular weight of 1852.39 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-chloro-1H-indole-2-carboxamide;benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamate;6-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide;6-chloro-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-chloro-1H-indole-2-carboxamide;benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamate;6-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide;6-chloro-1H-indole-2-carboxylic acid
PubChem CID163450553
Molecular FormulaC91H114Cl3N19O17
Molecular Weight1852.39 g/mol
Exact Mass1849.77
IUPAC Name(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-chloro-1H-indole-2-carboxamide;benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamate;6-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide;6-chloro-1H-indole-2-carboxylic acid
SMILESN#C[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)c1cc2ccc(Cl)cc2[nH]1.NC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@@H](N)CC1CC1.NC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)OCc1ccccc1.NC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)c1cc2ccc(Cl)cc2[nH]1.O=C(O)c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C23H28ClN5O4.C23H26ClN5O3.C22H30N4O5.C14H24N4O3.C9H6ClNO2/c24-15-6-5-13-9-19(27-16(13)11-15)23(33)29-18(8-12-3-4-12)22(32)28-17(20(25)30)10-14-2-1-7-26-21(14)31;24-16-6-5-14-10-20(28-18(14)11-16)23(32)29-19(8-13-3-4-13)22(31)27-17(12-25)9-15-2-1-7-26-21(15)30;23-19(27)17(12-16-7-4-10-24-20(16)28)25-21(29)18(11-14-8-9-14)26-22(30)31-13-15-5-2-1-3-6-15;15-10(6-8-3-4-8)14(21)18-11(12(16)19)7-9-2-1-5-17-13(9)20;10-6-2-1-5-3-8(9(12)13)11-7(5)4-6/h5-6,9,11-12,14,17-18,27H,1-4,7-8,10H2,(H2,25,30)(H,26,31)(H,28,32)(H,29,33);5-6,10-11,13,15,17,19,28H,1-4,7-9H2,(H,26,30)(H,27,31)(H,29,32);1-3,5-6,14,16-18H,4,7-13H2,(H2,23,27)(H,24,28)(H,25,29)(H,26,30);8-11H,1-7,15H2,(H2,16,19)(H,17,20)(H,18,21);1-4,11H,(H,12,13)/t14-,17-,18-;15-,17-,19-;16-,17-,18-;9-,10-,11-;/m0000./s1
InChIKeyBGFOIHVHWHHXFM-QBQVVSEISA-N
XLogP6.74
TPSA593.08 Ų
H-Bond Donors19
H-Bond Acceptors18
Rotatable Bonds35
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001852.39
LogP ≤ 56.74
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1018

Analyze (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-chloro-1H-indole-2-carboxamide;benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamate;6-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide;6-chloro-1H-indole-2-carboxylic acid with MolForge

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Related Compounds

lithium;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(trifluoromethyl)-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(trifluoromethyl)-1H-indole-2-carboxamide;ethyl 4-(trifluoromethyl)-1H-indole-2-carboxylate;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[[4-(trifluoromethyl)-1H-indole-2-carbonyl]amino]propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;4-(trifluoromethyl)-1H-indole-2-carboxylic acid;hydroxide;hydrate;hydrochloride
CID 167596890
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-chloro-1H-indole-2-carboxamide;4-chloro-1H-indole-2-carboxylic acid
CID 157507597
(2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-(7-chloro-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanamide;7-chloro-1H-indole-2-carboxylic acid;(2R)-4-(7-chloro-1H-indol-2-yl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-(cyclopropylmethyl)-4-oxobutanamide;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2R)-4-(7-chloro-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;hydrochloride
CID 157617254
(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-3-cyclopropylpropanamide;(2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-4-(7-chloro-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanamide;tert-butyl (3R)-4-[[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]amino]-3-(cyclopropylmethyl)-4-oxobutanoate;tert-butyl (3R)-3-(cyclopropylmethyl)-4-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]amino]-4-oxobutanoate;7-chloro-1H-indole-2-carboxylic acid;(2R)-4-(7-chloro-1H-indol-2-yl)-N-[(1S)-1-cyano-2-[(1S)-2-oxocyclohexyl]ethyl]-2-(cyclopropylmethyl)-4-oxobutanamide;(2R)-2-(cyclopropylmethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;hydrochloride
CID 161597285
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]-4,6-dichloro-1H-indole-2-carboxamide;4,6-dichloro-1H-indole-2-carboxylic acid;(2S)-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;methyl (2S)-2-[[(2S)-2-amino-4,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2-[(4,6-dichloro-1H-indole-2-carbonyl)amino]-4,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;dihydrochloride
CID 163415786
N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;2-azaspiro[4.5]decane-3-carboxylic acid;2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;4-chloro-1H-indole-2-carbonyl chloride;4-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate
CID 163500558
N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-chloro-1H-indole-2-carboxamide;4-chloro-1H-indole-2-carboxylic acid;(2S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2-[(4-chloro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;hydrochloride
CID 163549181
(2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-(cyclopropylmethyl)-4-(6,7-dichloro-1H-indol-2-yl)-4-oxobutanamide;(2S)-3-cyclopropyl-2-methylpropanoic acid;6,7-dichloro-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[(2R)-2-(cyclopropylmethyl)-4-(6,7-dichloro-1H-indol-2-yl)-4-oxobutanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-methylpropanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;hydrochloride
CID 163578155
(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;(2S)-2-amino-3-cyclopropylpropanoic acid;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamate;benzyl carbonochloridate;(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid;hydrochloride
CID 163598756
(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;4-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;4-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid;ethyl 4-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
CID 163611082
(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-4,4-dimethylpentanamide;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]-6,7-dichloro-1H-indole-2-carboxamide;tert-butyl 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]carbamate;6,7-dichloro-1H-indole-2-carboxylic acid;(2S)-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;dihydrochloride
CID 163631661
N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-chloro-1H-indole-2-carboxamide;5-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide;5-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2R)-4-(5-chloro-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-methylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;hydrochloride
CID 163657288

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-chloro-1H-indole-2-carboxamide;benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamate;6-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide;6-chloro-1H-indole-2-carboxylic acid?
The IUPAC name of (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-chloro-1H-indole-2-carboxamide;benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamate;6-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide;6-chloro-1H-indole-2-carboxylic acid (CID 163450553) is (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-chloro-1H-indole-2-carboxamide;benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamate;6-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide;6-chloro-1H-indole-2-carboxylic acid.
What is the SMILES notation for (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-chloro-1H-indole-2-carboxamide;benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamate;6-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide;6-chloro-1H-indole-2-carboxylic acid?
The canonical SMILES for (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-chloro-1H-indole-2-carboxamide;benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamate;6-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide;6-chloro-1H-indole-2-carboxylic acid is N#C[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)c1cc2ccc(Cl)cc2[nH]1.NC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@@H](N)CC1CC1.NC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)OCc1ccccc1.NC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)c1cc2ccc(Cl)cc2[nH]1.O=C(O)c1cc2ccc(Cl)cc2[nH]1.
What is the InChIKey of (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-chloro-1H-indole-2-carboxamide;benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamate;6-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide;6-chloro-1H-indole-2-carboxylic acid?
The InChIKey is BGFOIHVHWHHXFM-QBQVVSEISA-N. The full InChI is InChI=1S/C23H28ClN5O4.C23H26ClN5O3.C22H30N4O5.C14H24N4O3.C9H6ClNO2/c24-15-6-5-13-9-19(27-16(13)11-15)23(33)29-18(8-12-3-4-12)22(32)28-17(20(25)30)10-14-2-1-7-26-21(14)31;24-16-6-5-14-10-20(28-18(14)11-16)23(32)29-19(8-13-3-4-13)22(31)27-17(12-25)9-15-2-1-7-26-21(15)30;23-19(27)17(12-16-7-4-10-24-20(16)28)25-21(29)18(11-14-8-9-14)26-22(30)31-13-15-5-2-1-3-6-15;15-10(6-8-3-4-8)14(21)18-11(12(16)19)7-9-2-1-5-17-13(9)20;10-6-2-1-5-3-8(9(12)13)11-7(5)4-6/h5-6,9,11-12,14,17-18,27H,1-4,7-8,10H2,(H2,25,30)(H,26,31)(H,28,32)(H,29,33);5-6,10-11,13,15,17,19,28H,1-4,7-9H2,(H,26,30)(H,27,31)(H,29,32);1-3,5-6,14,16-18H,4,7-13H2,(H2,23,27)(H,24,28)(H,25,29)(H,26,30);8-11H,1-7,15H2,(H2,16,19)(H,17,20)(H,18,21);1-4,11H,(H,12,13)/t14-,17-,18-;15-,17-,19-;16-,17-,18-;9-,10-,11-;/m0000./s1.
What are the key properties of (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-chloro-1H-indole-2-carboxamide;benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamate;6-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide;6-chloro-1H-indole-2-carboxylic acid?
(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-chloro-1H-indole-2-carboxamide;benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamate;6-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide;6-chloro-1H-indole-2-carboxylic acid has a molecular weight of 1852.39 g/mol, XLogP of 6.74, 35 rotatable bonds, 19 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-chloro-1H-indole-2-carboxamide;benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamate;6-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide;6-chloro-1H-indole-2-carboxylic acid is sourced from PubChem (CID 163450553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).