1-[(2S,5R)-5-[[(2S,5R)-2-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]-2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]butyl]-7-methyl-4-oxooctanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylic acid;methyl 1-[(2S,5R)-2-(4-aminobutyl)-5-[[(2S,5R)-2-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]-7-methyl-4-oxooctanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylate;methyl 1-[(2S,5R)-5-[[(2S,5R)-2-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]-2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]butyl]-7-methyl-4-oxooctanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylate

C161H240N12O34 — CID 158346070

About 1-[(2S,5R)-5-[[(2S,5R)-2-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]-2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]butyl]-7-methyl-4-oxooctanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylic acid;methyl 1-[(2S,5R)-2-(4-aminobutyl)-5-[[(2S,5R)-2-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]-7-methyl-4-oxooctanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylate;methyl 1-[(2S,5R)-5-[[(2S,5R)-2-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]-2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]butyl]-7-methyl-4-oxooctanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylate

1-[(2S,5R)-5-[[(2S,5R)-2-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]-2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]butyl]-7-methyl-4-oxooctanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylic acid;methyl 1-[(2S,5R)-2-(4-aminobutyl)-5-[[(2S,5R)-2-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]-7-methyl-4-oxooctanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylate;methyl 1-[(2S,5R)-5-[[(2S,5R)-2-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]-2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]butyl]-7-methyl-4-oxooctanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylate (PubChem CID 158346070) has the molecular formula C161H240N12O34 and a molecular weight of 2887.74 g/mol. Its IUPAC name is 1-[(2S,5R)-5-[[(2S,5R)-2-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]-2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]butyl]-7-methyl-4-oxooctanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylic acid;methyl 1-[(2S,5R)-2-(4-aminobutyl)-5-[[(2S,5R)-2-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]-7-methyl-4-oxooctanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylate;methyl 1-[(2S,5R)-5-[[(2S,5R)-2-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]-2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]butyl]-7-methyl-4-oxooctanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylate.

Molecular Properties

• Compound Name: 1-[(2S,5R)-5-[[(2S,5R)-2-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]-2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]butyl]-7-methyl-4-oxooctanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylic acid;methyl 1-[(2S,5R)-2-(4-aminobutyl)-5-[[(2S,5R)-2-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]-7-methyl-4-oxooctanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylate;methyl 1-[(2S,5R)-5-[[(2S,5R)-2-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]-2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]butyl]-7-methyl-4-oxooctanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylate
• PubChem CID: 158346070
• Molecular Formula: C161H240N12O34
• Molecular Weight: 2887.74 g/mol
• Exact Mass: 2885.74
• IUPAC Name: 1-[(2S,5R)-5-[[(2S,5R)-2-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]-2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]butyl]-7-methyl-4-oxooctanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylic acid;methyl 1-[(2S,5R)-2-(4-aminobutyl)-5-[[(2S,5R)-2-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]-7-methyl-4-oxooctanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylate;methyl 1-[(2S,5R)-5-[[(2S,5R)-2-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]-2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]butyl]-7-methyl-4-oxooctanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylate
• SMILES: CC(C)C[C@@H](NC(=O)[C@H](CC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)C[C@H](CCCCNC[C@@H]1COC(C)(C)O1)C(=O)N1CCC(CC(=O)OC(C)(C)C)(C(=O)O)CC1.COC(=O)C1(CC(=O)OC(C)(C)C)CCN(C(=O)C(CCCCN)CC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Cc2ccccc2)CC1.COC(=O)C1(CC(=O)OC(C)(C)C)CCN(C(=O)[C@@H](CCCCNC[C@@H]2COC(C)(C)O2)CC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Cc2ccccc2)CC1
• InChI: InChI=1S/C56H84N4O12.C55H82N4O12.C50H74N4O10/c1-38(2)30-44(58-49(64)42(31-39-20-14-12-15-21-39)34-47(62)45(32-40-22-16-13-17-23-40)59-52(67)72-54(6,7)8)46(61)33-41(24-18-19-27-57-36-43-37-69-55(9,10)70-43)50(65)60-28-25-56(26-29-60,51(66)68-11)35-48(63)71-53(3,4)5;1-37(2)29-43(57-48(63)41(30-38-19-13-11-14-20-38)33-46(61)44(31-39-21-15-12-16-22-39)58-51(67)71-53(6,7)8)45(60)32-40(23-17-18-26-56-35-42-36-68-54(9,10)69-42)49(64)59-27-24-55(25-28-59,50(65)66)34-47(62)70-52(3,4)5;1-34(2)28-39(41(55)31-37(22-16-17-25-51)45(59)54-26-23-50(24-27-54,46(60)62-9)33-43(57)63-48(3,4)5)52-44(58)38(29-35-18-12-10-13-19-35)32-42(56)40(30-36-20-14-11-15-21-36)53-47(61)64-49(6,7)8/h12-17,20-23,38,41-45,57H,18-19,24-37H2,1-11H3,(H,58,64)(H,59,67);11-16,19-22,37,40-44,56H,17-18,23-36H2,1-10H3,(H,57,63)(H,58,67)(H,65,66);10-15,18-21,34,37-40H,16-17,22-33,51H2,1-9H3,(H,52,58)(H,53,61)/t41-,42-,43+,44+,45+;40-,41-,42+,43+,44+;37?,38-,39+,40+/m000/s1
• InChIKey: GRTBXRXSYGQKGP-OJNWWOOWSA-N
• XLogP: 21.54
• TPSA: 621.44 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 36
• Rotatable Bonds: 75
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2887.74
LogP ≤ 5	21.54
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,5R)-5-[[(2S,5R)-2-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]-2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]butyl]-7-methyl-4-oxooctanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylic acid;methyl 1-[(2S,5R)-2-(4-aminobutyl)-5-[[(2S,5R)-2-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]-7-methyl-4-oxooctanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylate;methyl 1-[(2S,5R)-5-[[(2S,5R)-2-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]-2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]butyl]-7-methyl-4-oxooctanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylate?

The IUPAC name of 1-[(2S,5R)-5-[[(2S,5R)-2-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]-2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]butyl]-7-methyl-4-oxooctanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylic acid;methyl 1-[(2S,5R)-2-(4-aminobutyl)-5-[[(2S,5R)-2-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]-7-methyl-4-oxooctanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylate;methyl 1-[(2S,5R)-5-[[(2S,5R)-2-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]-2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]butyl]-7-methyl-4-oxooctanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylate (CID 158346070) is 1-[(2S,5R)-5-[[(2S,5R)-2-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]-2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]butyl]-7-methyl-4-oxooctanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylic acid;methyl 1-[(2S,5R)-2-(4-aminobutyl)-5-[[(2S,5R)-2-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]-7-methyl-4-oxooctanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylate;methyl 1-[(2S,5R)-5-[[(2S,5R)-2-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]-2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]butyl]-7-methyl-4-oxooctanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylate.

What is the SMILES notation for 1-[(2S,5R)-5-[[(2S,5R)-2-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]-2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]butyl]-7-methyl-4-oxooctanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylic acid;methyl 1-[(2S,5R)-2-(4-aminobutyl)-5-[[(2S,5R)-2-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]-7-methyl-4-oxooctanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylate;methyl 1-[(2S,5R)-5-[[(2S,5R)-2-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]-2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]butyl]-7-methyl-4-oxooctanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylate?

The canonical SMILES for 1-[(2S,5R)-5-[[(2S,5R)-2-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]-2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]butyl]-7-methyl-4-oxooctanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylic acid;methyl 1-[(2S,5R)-2-(4-aminobutyl)-5-[[(2S,5R)-2-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]-7-methyl-4-oxooctanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylate;methyl 1-[(2S,5R)-5-[[(2S,5R)-2-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]-2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]butyl]-7-methyl-4-oxooctanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylate is CC(C)C[C@@H](NC(=O)[C@H](CC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)C[C@H](CCCCNC[C@@H]1COC(C)(C)O1)C(=O)N1CCC(CC(=O)OC(C)(C)C)(C(=O)O)CC1.COC(=O)C1(CC(=O)OC(C)(C)C)CCN(C(=O)C(CCCCN)CC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Cc2ccccc2)CC1.COC(=O)C1(CC(=O)OC(C)(C)C)CCN(C(=O)[C@@H](CCCCNC[C@@H]2COC(C)(C)O2)CC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Cc2ccccc2)CC1.

What is the InChIKey of 1-[(2S,5R)-5-[[(2S,5R)-2-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]-2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]butyl]-7-methyl-4-oxooctanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylic acid;methyl 1-[(2S,5R)-2-(4-aminobutyl)-5-[[(2S,5R)-2-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]-7-methyl-4-oxooctanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylate;methyl 1-[(2S,5R)-5-[[(2S,5R)-2-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]-2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]butyl]-7-methyl-4-oxooctanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylate?

The InChIKey is GRTBXRXSYGQKGP-OJNWWOOWSA-N. The full InChI is InChI=1S/C56H84N4O12.C55H82N4O12.C50H74N4O10/c1-38(2)30-44(58-49(64)42(31-39-20-14-12-15-21-39)34-47(62)45(32-40-22-16-13-17-23-40)59-52(67)72-54(6,7)8)46(61)33-41(24-18-19-27-57-36-43-37-69-55(9,10)70-43)50(65)60-28-25-56(26-29-60,51(66)68-11)35-48(63)71-53(3,4)5;1-37(2)29-43(57-48(63)41(30-38-19-13-11-14-20-38)33-46(61)44(31-39-21-15-12-16-22-39)58-51(67)71-53(6,7)8)45(60)32-40(23-17-18-26-56-35-42-36-68-54(9,10)69-42)49(64)59-27-24-55(25-28-59,50(65)66)34-47(62)70-52(3,4)5;1-34(2)28-39(41(55)31-37(22-16-17-25-51)45(59)54-26-23-50(24-27-54,46(60)62-9)33-43(57)63-48(3,4)5)52-44(58)38(29-35-18-12-10-13-19-35)32-42(56)40(30-36-20-14-11-15-21-36)53-47(61)64-49(6,7)8/h12-17,20-23,38,41-45,57H,18-19,24-37H2,1-11H3,(H,58,64)(H,59,67);11-16,19-22,37,40-44,56H,17-18,23-36H2,1-10H3,(H,57,63)(H,58,67)(H,65,66);10-15,18-21,34,37-40H,16-17,22-33,51H2,1-9H3,(H,52,58)(H,53,61)/t41-,42-,43+,44+,45+;40-,41-,42+,43+,44+;37?,38-,39+,40+/m000/s1.

What are the key properties of 1-[(2S,5R)-5-[[(2S,5R)-2-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]-2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]butyl]-7-methyl-4-oxooctanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylic acid;methyl 1-[(2S,5R)-2-(4-aminobutyl)-5-[[(2S,5R)-2-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]-7-methyl-4-oxooctanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylate;methyl 1-[(2S,5R)-5-[[(2S,5R)-2-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]-2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]butyl]-7-methyl-4-oxooctanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylate?

1-[(2S,5R)-5-[[(2S,5R)-2-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]-2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]butyl]-7-methyl-4-oxooctanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylic acid;methyl 1-[(2S,5R)-2-(4-aminobutyl)-5-[[(2S,5R)-2-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]-7-methyl-4-oxooctanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylate;methyl 1-[(2S,5R)-5-[[(2S,5R)-2-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]-2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]butyl]-7-methyl-4-oxooctanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylate has a molecular weight of 2887.74 g/mol, XLogP of 21.54, 75 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S,5R)-5-[[(2S,5R)-2-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]-2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]butyl]-7-methyl-4-oxooctanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylic acid;methyl 1-[(2S,5R)-2-(4-aminobutyl)-5-[[(2S,5R)-2-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]-7-methyl-4-oxooctanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylate;methyl 1-[(2S,5R)-5-[[(2S,5R)-2-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]-2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]butyl]-7-methyl-4-oxooctanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylate is sourced from PubChem (CID 158346070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).