(2S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;4-methoxy-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[(4-methoxy-1H-indole-2-carbonyl)amino]propanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-methylpropanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-methyl-3-[(3R)-2-oxopyrrolidin-3-yl]propanoate;dihydrochloride

C94H139Cl2N11O27 — CID 167565825

About (2S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;4-methoxy-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[(4-methoxy-1H-indole-2-carbonyl)amino]propanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-methylpropanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-methyl-3-[(3R)-2-oxopyrrolidin-3-yl]propanoate;dihydrochloride

(2S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;4-methoxy-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[(4-methoxy-1H-indole-2-carbonyl)amino]propanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-methylpropanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-methyl-3-[(3R)-2-oxopyrrolidin-3-yl]propanoate;dihydrochloride (PubChem CID 167565825) has the molecular formula C94H139Cl2N11O27 and a molecular weight of 1926.10 g/mol. Its IUPAC name is (2S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;4-methoxy-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[(4-methoxy-1H-indole-2-carbonyl)amino]propanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-methylpropanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-methyl-3-[(3R)-2-oxopyrrolidin-3-yl]propanoate;dihydrochloride.

Molecular Properties

• Compound Name: (2S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;4-methoxy-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[(4-methoxy-1H-indole-2-carbonyl)amino]propanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-methylpropanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-methyl-3-[(3R)-2-oxopyrrolidin-3-yl]propanoate;dihydrochloride
• PubChem CID: 167565825
• Molecular Formula: C94H139Cl2N11O27
• Molecular Weight: 1926.10 g/mol
• Exact Mass: 1923.92
• IUPAC Name: (2S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;4-methoxy-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[(4-methoxy-1H-indole-2-carbonyl)amino]propanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-methylpropanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-methyl-3-[(3R)-2-oxopyrrolidin-3-yl]propanoate;dihydrochloride
• SMILES: CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)O.COC(=O)[C@@H](C)C[C@@H]1CCNC1=O.COC(=O)[C@@H](N)C[C@@H]1CCNC1=O.COC(=O)[C@H](C[C@@H]1CCCC1=O)NC(=O)[C@@H](C)CC1CC1.COC(=O)[C@H](C[C@@H]1CCCC1=O)NC(=O)[C@@H](N)CC1CC1.COC(=O)[C@H](C[C@@H]1CCCC1=O)NC(=O)[C@H](CC1CC1)NC(=O)c1cc2c(OC)cccc2[nH]1.COc1cccc2[nH]c(C(=O)O)cc12.Cl.Cl
• InChI: InChI=1S/C25H31N3O6.C16H25NO4.C15H24N2O4.C11H19NO4.C10H9NO3.C9H15NO3.C8H14N2O3.2ClH/c1-33-22-8-4-6-17-16(22)13-19(26-17)24(31)27-18(11-14-9-10-14)23(30)28-20(25(32)34-2)12-15-5-3-7-21(15)29;1-10(8-11-6-7-11)15(19)17-13(16(20)21-2)9-12-4-3-5-14(12)18;1-21-15(20)12(8-10-3-2-4-13(10)18)17-14(19)11(16)7-9-5-6-9;1-11(2,3)16-10(15)12-8(9(13)14)6-7-4-5-7;1-14-9-4-2-3-7-6(9)5-8(11-7)10(12)13;1-6(9(12)13-2)5-7-3-4-10-8(7)11;1-13-8(12)6(9)4-5-2-3-10-7(5)11;;/h4,6,8,13-15,18,20,26H,3,5,7,9-12H2,1-2H3,(H,27,31)(H,28,30);10-13H,3-9H2,1-2H3,(H,17,19);9-12H,2-8,16H2,1H3,(H,17,19);7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14);2-5,11H,1H3,(H,12,13);6-7H,3-5H2,1-2H3,(H,10,11);5-6H,2-4,9H2,1H3,(H,10,11);2*1H/t15-,18-,20-;10-,12-,13-;10-,11-,12-;8-;;6-,7-;5-,6-;;/m0000.00../s1
• InChIKey: ZOONETMXZVRPGI-RNFAAIIASA-N
• XLogP: 8.68
• TPSA: 572.32 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 27
• Rotatable Bonds: 36
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1926.10
LogP ≤ 5	8.68
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;4-methoxy-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[(4-methoxy-1H-indole-2-carbonyl)amino]propanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-methylpropanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-methyl-3-[(3R)-2-oxopyrrolidin-3-yl]propanoate;dihydrochloride?

The IUPAC name of (2S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;4-methoxy-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[(4-methoxy-1H-indole-2-carbonyl)amino]propanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-methylpropanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-methyl-3-[(3R)-2-oxopyrrolidin-3-yl]propanoate;dihydrochloride (CID 167565825) is (2S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;4-methoxy-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[(4-methoxy-1H-indole-2-carbonyl)amino]propanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-methylpropanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-methyl-3-[(3R)-2-oxopyrrolidin-3-yl]propanoate;dihydrochloride.

What is the SMILES notation for (2S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;4-methoxy-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[(4-methoxy-1H-indole-2-carbonyl)amino]propanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-methylpropanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-methyl-3-[(3R)-2-oxopyrrolidin-3-yl]propanoate;dihydrochloride?

The canonical SMILES for (2S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;4-methoxy-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[(4-methoxy-1H-indole-2-carbonyl)amino]propanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-methylpropanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-methyl-3-[(3R)-2-oxopyrrolidin-3-yl]propanoate;dihydrochloride is CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)O.COC(=O)[C@@H](C)C[C@@H]1CCNC1=O.COC(=O)[C@@H](N)C[C@@H]1CCNC1=O.COC(=O)[C@H](C[C@@H]1CCCC1=O)NC(=O)[C@@H](C)CC1CC1.COC(=O)[C@H](C[C@@H]1CCCC1=O)NC(=O)[C@@H](N)CC1CC1.COC(=O)[C@H](C[C@@H]1CCCC1=O)NC(=O)[C@H](CC1CC1)NC(=O)c1cc2c(OC)cccc2[nH]1.COc1cccc2[nH]c(C(=O)O)cc12.Cl.Cl.

What is the InChIKey of (2S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;4-methoxy-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[(4-methoxy-1H-indole-2-carbonyl)amino]propanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-methylpropanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-methyl-3-[(3R)-2-oxopyrrolidin-3-yl]propanoate;dihydrochloride?

The InChIKey is ZOONETMXZVRPGI-RNFAAIIASA-N. The full InChI is InChI=1S/C25H31N3O6.C16H25NO4.C15H24N2O4.C11H19NO4.C10H9NO3.C9H15NO3.C8H14N2O3.2ClH/c1-33-22-8-4-6-17-16(22)13-19(26-17)24(31)27-18(11-14-9-10-14)23(30)28-20(25(32)34-2)12-15-5-3-7-21(15)29;1-10(8-11-6-7-11)15(19)17-13(16(20)21-2)9-12-4-3-5-14(12)18;1-21-15(20)12(8-10-3-2-4-13(10)18)17-14(19)11(16)7-9-5-6-9;1-11(2,3)16-10(15)12-8(9(13)14)6-7-4-5-7;1-14-9-4-2-3-7-6(9)5-8(11-7)10(12)13;1-6(9(12)13-2)5-7-3-4-10-8(7)11;1-13-8(12)6(9)4-5-2-3-10-7(5)11;;/h4,6,8,13-15,18,20,26H,3,5,7,9-12H2,1-2H3,(H,27,31)(H,28,30);10-13H,3-9H2,1-2H3,(H,17,19);9-12H,2-8,16H2,1H3,(H,17,19);7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14);2-5,11H,1H3,(H,12,13);6-7H,3-5H2,1-2H3,(H,10,11);5-6H,2-4,9H2,1H3,(H,10,11);2*1H/t15-,18-,20-;10-,12-,13-;10-,11-,12-;8-;;6-,7-;5-,6-;;/m0000.00../s1.

What are the key properties of (2S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;4-methoxy-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[(4-methoxy-1H-indole-2-carbonyl)amino]propanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-methylpropanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-methyl-3-[(3R)-2-oxopyrrolidin-3-yl]propanoate;dihydrochloride?

(2S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;4-methoxy-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[(4-methoxy-1H-indole-2-carbonyl)amino]propanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-methylpropanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-methyl-3-[(3R)-2-oxopyrrolidin-3-yl]propanoate;dihydrochloride has a molecular weight of 1926.10 g/mol, XLogP of 8.68, 36 rotatable bonds, 13 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;4-methoxy-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[(4-methoxy-1H-indole-2-carbonyl)amino]propanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-[[(2S)-3-cyclopropyl-2-methylpropanoyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-2-methyl-3-[(3R)-2-oxopyrrolidin-3-yl]propanoate;dihydrochloride is sourced from PubChem (CID 167565825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).