(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

C110H147Cl7N10O24 — CID 163578155

About (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

(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 (PubChem CID 163578155) has the molecular formula C110H147Cl7N10O24 and a molecular weight of 2241.60 g/mol. Its IUPAC name is (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.

Molecular Properties

• Compound Name: (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
• PubChem CID: 163578155
• Molecular Formula: C110H147Cl7N10O24
• Molecular Weight: 2241.60 g/mol
• Exact Mass: 2236.84
• IUPAC Name: (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
• SMILES: COC(=O)[C@@H](N)C[C@@H]1CCCCC1=O.COC(=O)[C@H](C[C@@H]1CCCCC1=O)NC(=O)[C@@H](C)CC1CC1.COC(=O)[C@H](C[C@@H]1CCCCC1=O)NC(=O)[C@@H](CC(=O)c1cc2ccc(Cl)c(Cl)c2[nH]1)CC1CC1.COC(=O)[C@H](C[C@@H]1CCCCC1=O)NC(=O)[C@@H](N)CC1CC1.C[C@@H](CC1CC1)C(=O)O.Cl.NC(=O)[C@H](C[C@@H]1CCCCC1=O)NC(=O)[C@@H](CC(=O)c1cc2ccc(Cl)c(Cl)c2[nH]1)CC1CC1.O=C(O)c1cc2ccc(Cl)c(Cl)c2[nH]1
• InChI: InChI=1S/C26H30Cl2N2O5.C25H29Cl2N3O4.C17H27NO4.C16H26N2O4.C10H17NO3.C9H5Cl2NO2.C7H12O2.ClH/c1-35-26(34)20(11-15-4-2-3-5-21(15)31)30-25(33)17(10-14-6-7-14)13-22(32)19-12-16-8-9-18(27)23(28)24(16)29-19;26-17-8-7-15-11-18(29-23(15)22(17)27)21(32)12-16(9-13-5-6-13)25(34)30-19(24(28)33)10-14-3-1-2-4-20(14)31;1-11(9-12-7-8-12)16(20)18-14(17(21)22-2)10-13-5-3-4-6-15(13)19;1-22-16(21)13(9-11-4-2-3-5-14(11)19)18-15(20)12(17)8-10-6-7-10;1-14-10(13)8(11)6-7-4-2-3-5-9(7)12;10-5-2-1-4-3-6(9(13)14)12-8(4)7(5)11;1-5(7(8)9)4-6-2-3-6;/h8-9,12,14-15,17,20,29H,2-7,10-11,13H2,1H3,(H,30,33);7-8,11,13-14,16,19,29H,1-6,9-10,12H2,(H2,28,33)(H,30,34);11-14H,3-10H2,1-2H3,(H,18,20);10-13H,2-9,17H2,1H3,(H,18,20);7-8H,2-6,11H2,1H3;1-3,12H,(H,13,14);5-6H,2-4H2,1H3,(H,8,9);1H/t15-,17+,20-;14-,16+,19-;11-,13-,14-;11-,12-,13-;7-,8-;;5-;/m00000.0./s1
• InChIKey: AENZGMBTDDTZIN-RCERJZKWSA-N
• XLogP: 18.74
• TPSA: 558.19 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 24
• Rotatable Bonds: 41
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2241.60
LogP ≤ 5	18.74
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (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?

The IUPAC name of (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) is (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.

What is the SMILES notation for (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?

The canonical SMILES for (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 is COC(=O)[C@@H](N)C[C@@H]1CCCCC1=O.COC(=O)[C@H](C[C@@H]1CCCCC1=O)NC(=O)[C@@H](C)CC1CC1.COC(=O)[C@H](C[C@@H]1CCCCC1=O)NC(=O)[C@@H](CC(=O)c1cc2ccc(Cl)c(Cl)c2[nH]1)CC1CC1.COC(=O)[C@H](C[C@@H]1CCCCC1=O)NC(=O)[C@@H](N)CC1CC1.C[C@@H](CC1CC1)C(=O)O.Cl.NC(=O)[C@H](C[C@@H]1CCCCC1=O)NC(=O)[C@@H](CC(=O)c1cc2ccc(Cl)c(Cl)c2[nH]1)CC1CC1.O=C(O)c1cc2ccc(Cl)c(Cl)c2[nH]1.

What is the InChIKey of (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?

The InChIKey is AENZGMBTDDTZIN-RCERJZKWSA-N. The full InChI is InChI=1S/C26H30Cl2N2O5.C25H29Cl2N3O4.C17H27NO4.C16H26N2O4.C10H17NO3.C9H5Cl2NO2.C7H12O2.ClH/c1-35-26(34)20(11-15-4-2-3-5-21(15)31)30-25(33)17(10-14-6-7-14)13-22(32)19-12-16-8-9-18(27)23(28)24(16)29-19;26-17-8-7-15-11-18(29-23(15)22(17)27)21(32)12-16(9-13-5-6-13)25(34)30-19(24(28)33)10-14-3-1-2-4-20(14)31;1-11(9-12-7-8-12)16(20)18-14(17(21)22-2)10-13-5-3-4-6-15(13)19;1-22-16(21)13(9-11-4-2-3-5-14(11)19)18-15(20)12(17)8-10-6-7-10;1-14-10(13)8(11)6-7-4-2-3-5-9(7)12;10-5-2-1-4-3-6(9(13)14)12-8(4)7(5)11;1-5(7(8)9)4-6-2-3-6;/h8-9,12,14-15,17,20,29H,2-7,10-11,13H2,1H3,(H,30,33);7-8,11,13-14,16,19,29H,1-6,9-10,12H2,(H2,28,33)(H,30,34);11-14H,3-10H2,1-2H3,(H,18,20);10-13H,2-9,17H2,1H3,(H,18,20);7-8H,2-6,11H2,1H3;1-3,12H,(H,13,14);5-6H,2-4H2,1H3,(H,8,9);1H/t15-,17+,20-;14-,16+,19-;11-,13-,14-;11-,12-,13-;7-,8-;;5-;/m00000.0./s1.

What are the key properties of (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?

(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 has a molecular weight of 2241.60 g/mol, XLogP of 18.74, 41 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (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 is sourced from PubChem (CID 163578155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).