[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2-methylpropanoate;carbon dioxide;[4-[[(2S)-2-[[(2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-2-[2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]ethyl]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(2R,5S)-5-[[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl 2-methylpropanoate

C135H191N17O44 — CID 160601230

About [4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2-methylpropanoate;carbon dioxide;[4-[[(2S)-2-[[(2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-2-[2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]ethyl]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(2R,5S)-5-[[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl 2-methylpropanoate

[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2-methylpropanoate;carbon dioxide;[4-[[(2S)-2-[[(2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-2-[2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]ethyl]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(2R,5S)-5-[[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl 2-methylpropanoate (PubChem CID 160601230) has the molecular formula C135H191N17O44 and a molecular weight of 2756.09 g/mol. Its IUPAC name is [4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2-methylpropanoate;carbon dioxide;[4-[[(2S)-2-[[(2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-2-[2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]ethyl]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(2R,5S)-5-[[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl 2-methylpropanoate.

Molecular Properties

• Compound Name: [4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2-methylpropanoate;carbon dioxide;[4-[[(2S)-2-[[(2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-2-[2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]ethyl]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(2R,5S)-5-[[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl 2-methylpropanoate
• PubChem CID: 160601230
• Molecular Formula: C135H191N17O44
• Molecular Weight: 2756.09 g/mol
• Exact Mass: 2754.32
• IUPAC Name: [4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2-methylpropanoate;carbon dioxide;[4-[[(2S)-2-[[(2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-2-[2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]ethyl]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(2R,5S)-5-[[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl 2-methylpropanoate
• SMILES: CC(C)C(=O)OCc1ccc(NC(=O)[C@H](C)CC(=O)[C@@H](NC(=O)COCCOCCOCCOCCN2C(=O)C=CC2=O)C(C)C)cc1.CC(C)C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)CC(=O)[C@@H](NC(=O)COCCOCCOCCOCCN2C(=O)C=CC2=O)C(C)C)cc1.CC(C)[C@H](NC(=O)CN1C(=O)C=CC1=O)C(=O)C[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)C(C)(C)C)cc1.CC(C)[C@H](NC(=O)CN1C(=O)C=CC1=O)C(=O)N[C@@H](C)C(=O)Nc1ccc(COC(=O)C(C)(C)C)c(CC[C@@H]2OCC(O)[C@H](O)[C@H]2O)c1.O=C=O
• InChI: InChI=1S/C37H55N5O12.C34H49N3O11.C33H46N4O11.C30H41N5O8.CO2/c1-25(2)34(41-31(44)24-53-21-20-52-19-18-51-17-16-50-15-14-42-32(45)11-12-33(42)46)30(43)22-28(6-5-13-39-37(38)49)35(47)40-29-9-7-27(8-10-29)23-54-36(48)26(3)4;1-23(2)32(28(38)20-25(5)33(42)35-27-8-6-26(7-9-27)21-48-34(43)24(3)4)36-29(39)22-47-19-18-46-17-16-45-15-14-44-13-12-37-30(40)10-11-31(37)41;1-17(2)27(36-24(39)14-37-25(40)11-12-26(37)41)31(45)34-18(3)30(44)35-21-9-7-20(15-48-32(46)33(4,5)6)19(13-21)8-10-23-29(43)28(42)22(38)16-47-23;1-18(2)26(34-23(37)16-35-24(38)12-13-25(35)39)22(36)15-20(7-6-14-32-29(31)42)27(40)33-21-10-8-19(9-11-21)17-43-28(41)30(3,4)5;2-1-3/h7-12,25-26,28,34H,5-6,13-24H2,1-4H3,(H,40,47)(H,41,44)(H3,38,39,49);6-11,23-25,32H,12-22H2,1-5H3,(H,35,42)(H,36,39);7,9,11-13,17-18,22-23,27-29,38,42-43H,8,10,14-16H2,1-6H3,(H,34,45)(H,35,44)(H,36,39);8-13,18,20,26H,6-7,14-17H2,1-5H3,(H,33,40)(H,34,37)(H3,31,32,42);/t28-,34+;25-,32+;18-,22?,23-,27-,28-,29-;20-,26+;/m1101./s1
• InChIKey: REHNVNMFVGVUHN-YYTJVVNJSA-N
• XLogP: 4.45
• TPSA: 855.97 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 44
• Rotatable Bonds: 80
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2756.09
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2-methylpropanoate;carbon dioxide;[4-[[(2S)-2-[[(2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-2-[2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]ethyl]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(2R,5S)-5-[[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl 2-methylpropanoate?

The IUPAC name of [4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2-methylpropanoate;carbon dioxide;[4-[[(2S)-2-[[(2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-2-[2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]ethyl]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(2R,5S)-5-[[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl 2-methylpropanoate (CID 160601230) is [4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2-methylpropanoate;carbon dioxide;[4-[[(2S)-2-[[(2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-2-[2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]ethyl]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(2R,5S)-5-[[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl 2-methylpropanoate.

What is the SMILES notation for [4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2-methylpropanoate;carbon dioxide;[4-[[(2S)-2-[[(2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-2-[2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]ethyl]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(2R,5S)-5-[[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl 2-methylpropanoate?

The canonical SMILES for [4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2-methylpropanoate;carbon dioxide;[4-[[(2S)-2-[[(2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-2-[2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]ethyl]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(2R,5S)-5-[[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl 2-methylpropanoate is CC(C)C(=O)OCc1ccc(NC(=O)[C@H](C)CC(=O)[C@@H](NC(=O)COCCOCCOCCOCCN2C(=O)C=CC2=O)C(C)C)cc1.CC(C)C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)CC(=O)[C@@H](NC(=O)COCCOCCOCCOCCN2C(=O)C=CC2=O)C(C)C)cc1.CC(C)[C@H](NC(=O)CN1C(=O)C=CC1=O)C(=O)C[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)C(C)(C)C)cc1.CC(C)[C@H](NC(=O)CN1C(=O)C=CC1=O)C(=O)N[C@@H](C)C(=O)Nc1ccc(COC(=O)C(C)(C)C)c(CC[C@@H]2OCC(O)[C@H](O)[C@H]2O)c1.O=C=O.

What is the InChIKey of [4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2-methylpropanoate;carbon dioxide;[4-[[(2S)-2-[[(2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-2-[2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]ethyl]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(2R,5S)-5-[[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl 2-methylpropanoate?

The InChIKey is REHNVNMFVGVUHN-YYTJVVNJSA-N. The full InChI is InChI=1S/C37H55N5O12.C34H49N3O11.C33H46N4O11.C30H41N5O8.CO2/c1-25(2)34(41-31(44)24-53-21-20-52-19-18-51-17-16-50-15-14-42-32(45)11-12-33(42)46)30(43)22-28(6-5-13-39-37(38)49)35(47)40-29-9-7-27(8-10-29)23-54-36(48)26(3)4;1-23(2)32(28(38)20-25(5)33(42)35-27-8-6-26(7-9-27)21-48-34(43)24(3)4)36-29(39)22-47-19-18-46-17-16-45-15-14-44-13-12-37-30(40)10-11-31(37)41;1-17(2)27(36-24(39)14-37-25(40)11-12-26(37)41)31(45)34-18(3)30(44)35-21-9-7-20(15-48-32(46)33(4,5)6)19(13-21)8-10-23-29(43)28(42)22(38)16-47-23;1-18(2)26(34-23(37)16-35-24(38)12-13-25(35)39)22(36)15-20(7-6-14-32-29(31)42)27(40)33-21-10-8-19(9-11-21)17-43-28(41)30(3,4)5;2-1-3/h7-12,25-26,28,34H,5-6,13-24H2,1-4H3,(H,40,47)(H,41,44)(H3,38,39,49);6-11,23-25,32H,12-22H2,1-5H3,(H,35,42)(H,36,39);7,9,11-13,17-18,22-23,27-29,38,42-43H,8,10,14-16H2,1-6H3,(H,34,45)(H,35,44)(H,36,39);8-13,18,20,26H,6-7,14-17H2,1-5H3,(H,33,40)(H,34,37)(H3,31,32,42);/t28-,34+;25-,32+;18-,22?,23-,27-,28-,29-;20-,26+;/m1101./s1.

What are the key properties of [4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2-methylpropanoate;carbon dioxide;[4-[[(2S)-2-[[(2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-2-[2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]ethyl]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(2R,5S)-5-[[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl 2-methylpropanoate?

[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2-methylpropanoate;carbon dioxide;[4-[[(2S)-2-[[(2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-2-[2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]ethyl]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(2R,5S)-5-[[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl 2-methylpropanoate has a molecular weight of 2756.09 g/mol, XLogP of 4.45, 80 rotatable bonds, 16 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2-methylpropanoate;carbon dioxide;[4-[[(2S)-2-[[(2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-2-[2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]ethyl]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(2R,5S)-5-[[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl 2-methylpropanoate is sourced from PubChem (CID 160601230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).