(3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;4,6-dichloro-1H-indole-2-carboxylic acid

C90H105Cl6N15O16 — CID 163698664

IUPAC(3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;4,6-dichloro-1H-indole-2-carboxylic acid
SMILESO=C(NC1CC1)C(=O)[C@H](C[C@@H]1CC2(CC2)NC1=O)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1.O=C(NC1CC1)C(O)[C@H](C[C@@H]1CC2(CC2)NC1=O)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1.O=C(NC1CC1)C(O)[C@H](C[C@@H]1CC2(CC2)NC1=O)NC(=O)[C@H]1NC[C@@H]2CCC[C@@H]21.O=C(O)c1cc2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C30H35Cl2N5O5.C30H33Cl2N5O5.C21H32N4O4.C9H5Cl2NO2/c2*31-16-9-20(32)19-11-23(34-21(19)10-16)29(42)37-13-14-2-1-3-18(14)24(37)27(40)35-22(25(38)28(41)33-17-4-5-17)8-15-12-30(6-7-30)36-26(15)39;26-17(20(29)23-13-4-5-13)15(8-12-9-21(6-7-21)25-18(12)27)24-19(28)16-14-3-1-2-11(14)10-22-16;10-4-1-6(11)5-3-8(9(13)14)12-7(5)2-4/h9-11,14-15,17-18,22,24-25,34,38H,1-8,12-13H2,(H,33,41)(H,35,40)(H,36,39);9-11,14-15,17-18,22,24,34H,1-8,12-13H2,(H,33,41)(H,35,40)(H,36,39);11-17,22,26H,1-10H2,(H,23,29)(H,24,28)(H,25,27);1-3,12H,(H,13,14)/t14-,15+,18-,22-,24-,25?;14-,15+,18-,22-,24-;11-,12+,14-,15-,16-,17?;/m000./s1
InChIKeyJZBPZMHFIINJRT-LOZBXKMESA-N
MW1865.64 g/mol
LogP8.74
Rot. Bonds24

About (3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;4,6-dichloro-1H-indole-2-carboxylic acid

(3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;4,6-dichloro-1H-indole-2-carboxylic acid (PubChem CID 163698664) has the molecular formula C90H105Cl6N15O16 and a molecular weight of 1865.64 g/mol. Its IUPAC name is (3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;4,6-dichloro-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name(3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;4,6-dichloro-1H-indole-2-carboxylic acid
PubChem CID163698664
Molecular FormulaC90H105Cl6N15O16
Molecular Weight1865.64 g/mol
Exact Mass1861.60
IUPAC Name(3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;4,6-dichloro-1H-indole-2-carboxylic acid
SMILESO=C(NC1CC1)C(=O)[C@H](C[C@@H]1CC2(CC2)NC1=O)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1.O=C(NC1CC1)C(O)[C@H](C[C@@H]1CC2(CC2)NC1=O)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1.O=C(NC1CC1)C(O)[C@H](C[C@@H]1CC2(CC2)NC1=O)NC(=O)[C@H]1NC[C@@H]2CCC[C@@H]21.O=C(O)c1cc2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C30H35Cl2N5O5.C30H33Cl2N5O5.C21H32N4O4.C9H5Cl2NO2/c2*31-16-9-20(32)19-11-23(34-21(19)10-16)29(42)37-13-14-2-1-3-18(14)24(37)27(40)35-22(25(38)28(41)33-17-4-5-17)8-15-12-30(6-7-30)36-26(15)39;26-17(20(29)23-13-4-5-13)15(8-12-9-21(6-7-21)25-18(12)27)24-19(28)16-14-3-1-2-11(14)10-22-16;10-4-1-6(11)5-3-8(9(13)14)12-7(5)2-4/h9-11,14-15,17-18,22,24-25,34,38H,1-8,12-13H2,(H,33,41)(H,35,40)(H,36,39);9-11,14-15,17-18,22,24,34H,1-8,12-13H2,(H,33,41)(H,35,40)(H,36,39);11-17,22,26H,1-10H2,(H,23,29)(H,24,28)(H,25,27);1-3,12H,(H,13,14)/t14-,15+,18-,22-,24-,25?;14-,15+,18-,22-,24-;11-,12+,14-,15-,16-,17?;/m000./s1
InChIKeyJZBPZMHFIINJRT-LOZBXKMESA-N
XLogP8.74
TPSA456.75 Ų
H-Bond Donors16
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001865.64
LogP ≤ 58.74
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze (3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;4,6-dichloro-1H-indole-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;4,6-dichloro-1H-indole-2-carboxylic acid?
The IUPAC name of (3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;4,6-dichloro-1H-indole-2-carboxylic acid (CID 163698664) is (3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;4,6-dichloro-1H-indole-2-carboxylic acid.
What is the SMILES notation for (3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;4,6-dichloro-1H-indole-2-carboxylic acid?
The canonical SMILES for (3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;4,6-dichloro-1H-indole-2-carboxylic acid is O=C(NC1CC1)C(=O)[C@H](C[C@@H]1CC2(CC2)NC1=O)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1.O=C(NC1CC1)C(O)[C@H](C[C@@H]1CC2(CC2)NC1=O)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1.O=C(NC1CC1)C(O)[C@H](C[C@@H]1CC2(CC2)NC1=O)NC(=O)[C@H]1NC[C@@H]2CCC[C@@H]21.O=C(O)c1cc2c(Cl)cc(Cl)cc2[nH]1.
What is the InChIKey of (3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;4,6-dichloro-1H-indole-2-carboxylic acid?
The InChIKey is JZBPZMHFIINJRT-LOZBXKMESA-N. The full InChI is InChI=1S/C30H35Cl2N5O5.C30H33Cl2N5O5.C21H32N4O4.C9H5Cl2NO2/c2*31-16-9-20(32)19-11-23(34-21(19)10-16)29(42)37-13-14-2-1-3-18(14)24(37)27(40)35-22(25(38)28(41)33-17-4-5-17)8-15-12-30(6-7-30)36-26(15)39;26-17(20(29)23-13-4-5-13)15(8-12-9-21(6-7-21)25-18(12)27)24-19(28)16-14-3-1-2-11(14)10-22-16;10-4-1-6(11)5-3-8(9(13)14)12-7(5)2-4/h9-11,14-15,17-18,22,24-25,34,38H,1-8,12-13H2,(H,33,41)(H,35,40)(H,36,39);9-11,14-15,17-18,22,24,34H,1-8,12-13H2,(H,33,41)(H,35,40)(H,36,39);11-17,22,26H,1-10H2,(H,23,29)(H,24,28)(H,25,27);1-3,12H,(H,13,14)/t14-,15+,18-,22-,24-,25?;14-,15+,18-,22-,24-;11-,12+,14-,15-,16-,17?;/m000./s1.
What are the key properties of (3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;4,6-dichloro-1H-indole-2-carboxylic acid?
(3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;4,6-dichloro-1H-indole-2-carboxylic acid has a molecular weight of 1865.64 g/mol, XLogP of 8.74, 24 rotatable bonds, 16 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;4,6-dichloro-1H-indole-2-carboxylic acid is sourced from PubChem (CID 163698664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).