(2R)-2-[[(3S,6R)-9-(carbamoylamino)-6-[[4-(2,2-dimethylpropanoyloxymethyl)phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamoyl]-9-(2,5-dioxopyrrol-1-yl)-4-oxononane-1-sulfonic acid;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-(6-ethenylsulfonylhexanoylamino)-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;(2S,3S,4R,5R,6S)-6-[2-[2-(2,2-dimethylpropanoyloxymethyl)-5-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]ethynyl]-3,4,5-trihydroxyoxane-2-carboxylic acid;3-[3-[2-(2,2-dimethylpropanoyloxymethyl)-5-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]prop-2-ynoxy]propane-1-sulfonic acid

C146H207N15O44S3 — CID 161045237

About (2R)-2-[[(3S,6R)-9-(carbamoylamino)-6-[[4-(2,2-dimethylpropanoyloxymethyl)phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamoyl]-9-(2,5-dioxopyrrol-1-yl)-4-oxononane-1-sulfonic acid;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-(6-ethenylsulfonylhexanoylamino)-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;(2S,3S,4R,5R,6S)-6-[2-[2-(2,2-dimethylpropanoyloxymethyl)-5-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]ethynyl]-3,4,5-trihydroxyoxane-2-carboxylic acid;3-[3-[2-(2,2-dimethylpropanoyloxymethyl)-5-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]prop-2-ynoxy]propane-1-sulfonic acid

(2R)-2-[[(3S,6R)-9-(carbamoylamino)-6-[[4-(2,2-dimethylpropanoyloxymethyl)phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamoyl]-9-(2,5-dioxopyrrol-1-yl)-4-oxononane-1-sulfonic acid;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-(6-ethenylsulfonylhexanoylamino)-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;(2S,3S,4R,5R,6S)-6-[2-[2-(2,2-dimethylpropanoyloxymethyl)-5-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]ethynyl]-3,4,5-trihydroxyoxane-2-carboxylic acid;3-[3-[2-(2,2-dimethylpropanoyloxymethyl)-5-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]prop-2-ynoxy]propane-1-sulfonic acid (PubChem CID 161045237) has the molecular formula C146H207N15O44S3 and a molecular weight of 2972.52 g/mol. Its IUPAC name is (2R)-2-[[(3S,6R)-9-(carbamoylamino)-6-[[4-(2,2-dimethylpropanoyloxymethyl)phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamoyl]-9-(2,5-dioxopyrrol-1-yl)-4-oxononane-1-sulfonic acid;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-(6-ethenylsulfonylhexanoylamino)-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;(2S,3S,4R,5R,6S)-6-[2-[2-(2,2-dimethylpropanoyloxymethyl)-5-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]ethynyl]-3,4,5-trihydroxyoxane-2-carboxylic acid;3-[3-[2-(2,2-dimethylpropanoyloxymethyl)-5-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]prop-2-ynoxy]propane-1-sulfonic acid.

Molecular Properties

• Compound Name: (2R)-2-[[(3S,6R)-9-(carbamoylamino)-6-[[4-(2,2-dimethylpropanoyloxymethyl)phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamoyl]-9-(2,5-dioxopyrrol-1-yl)-4-oxononane-1-sulfonic acid;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-(6-ethenylsulfonylhexanoylamino)-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;(2S,3S,4R,5R,6S)-6-[2-[2-(2,2-dimethylpropanoyloxymethyl)-5-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]ethynyl]-3,4,5-trihydroxyoxane-2-carboxylic acid;3-[3-[2-(2,2-dimethylpropanoyloxymethyl)-5-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]prop-2-ynoxy]propane-1-sulfonic acid
• PubChem CID: 161045237
• Molecular Formula: C146H207N15O44S3
• Molecular Weight: 2972.52 g/mol
• Exact Mass: 2970.36
• IUPAC Name: (2R)-2-[[(3S,6R)-9-(carbamoylamino)-6-[[4-(2,2-dimethylpropanoyloxymethyl)phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamoyl]-9-(2,5-dioxopyrrol-1-yl)-4-oxononane-1-sulfonic acid;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-(6-ethenylsulfonylhexanoylamino)-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;(2S,3S,4R,5R,6S)-6-[2-[2-(2,2-dimethylpropanoyloxymethyl)-5-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]ethynyl]-3,4,5-trihydroxyoxane-2-carboxylic acid;3-[3-[2-(2,2-dimethylpropanoyloxymethyl)-5-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]prop-2-ynoxy]propane-1-sulfonic acid
• SMILES: C=CS(=O)(=O)CCCCCC(=O)N[C@H](C(=O)C[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)C(C)(C)C)cc1)C(C)C.CC(C)[C@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)C[C@@H](C)C(=O)Nc1ccc(COC(=O)C(C)(C)C)c(C#CCOCCCS(=O)(=O)O)c1.CC(C)[C@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)C[C@@H](C)C(=O)Nc1ccc(COC(=O)C(C)(C)C)c(C#C[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c1.CC(C)[C@H](NC(=O)[C@@H](CC(=O)CCCCCN1C(=O)C=CC1=O)CS(=O)(=O)O)C(=O)C[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)C(C)(C)C)cc1
• InChI: InChI=1S/C39H51N3O13.C38H55N5O12S.C37H51N3O11S.C32H50N4O8S/c1-21(2)31(41-28(44)10-8-7-9-17-42-29(45)15-16-30(42)46)26(43)18-22(3)36(50)40-25-13-11-24(20-54-38(53)39(4,5)6)23(19-25)12-14-27-32(47)33(48)34(49)35(55-27)37(51)52;1-24(2)33(42-35(49)27(23-56(52,53)54)20-29(44)11-7-6-8-19-43-31(46)16-17-32(43)47)30(45)21-26(10-9-18-40-37(39)51)34(48)41-28-14-12-25(13-15-28)22-55-36(50)38(3,4)5;1-25(2)34(39-31(42)13-8-7-9-18-40-32(43)16-17-33(40)44)30(41)22-26(3)35(45)38-29-15-14-28(24-51-36(46)37(4,5)6)27(23-29)12-10-19-50-20-11-21-52(47,48)49;1-7-45(42,43)19-10-8-9-13-27(38)36-28(22(2)3)26(37)20-24(12-11-18-34-31(33)41)29(39)35-25-16-14-23(15-17-25)21-44-30(40)32(4,5)6/h11,13,15-16,19,21-22,27,31-35,47-49H,7-10,17-18,20H2,1-6H3,(H,40,50)(H,41,44)(H,51,52);12-17,24,26-27,33H,6-11,18-23H2,1-5H3,(H,41,48)(H,42,49)(H3,39,40,51)(H,52,53,54);14-17,23,25-26,34H,7-9,11,13,18-22,24H2,1-6H3,(H,38,45)(H,39,42)(H,47,48,49);7,14-17,22,24,28H,1,8-13,18-21H2,2-6H3,(H,35,39)(H,36,38)(H3,33,34,41)/t22-,27+,31+,32+,33-,34+,35+;26-,27+,33+;26-,34+;24-,28+/m1111/s1
• InChIKey: UBKNBZRKKTZWTL-SZNCJTCPSA-N
• XLogP: 11.63
• TPSA: 905.06 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 41
• Rotatable Bonds: 80
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2972.52
LogP ≤ 5	11.63
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	41

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'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(3S,6R)-9-(carbamoylamino)-6-[[4-(2,2-dimethylpropanoyloxymethyl)phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamoyl]-9-(2,5-dioxopyrrol-1-yl)-4-oxononane-1-sulfonic acid;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-(6-ethenylsulfonylhexanoylamino)-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;(2S,3S,4R,5R,6S)-6-[2-[2-(2,2-dimethylpropanoyloxymethyl)-5-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]ethynyl]-3,4,5-trihydroxyoxane-2-carboxylic acid;3-[3-[2-(2,2-dimethylpropanoyloxymethyl)-5-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]prop-2-ynoxy]propane-1-sulfonic acid?

The IUPAC name of (2R)-2-[[(3S,6R)-9-(carbamoylamino)-6-[[4-(2,2-dimethylpropanoyloxymethyl)phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamoyl]-9-(2,5-dioxopyrrol-1-yl)-4-oxononane-1-sulfonic acid;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-(6-ethenylsulfonylhexanoylamino)-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;(2S,3S,4R,5R,6S)-6-[2-[2-(2,2-dimethylpropanoyloxymethyl)-5-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]ethynyl]-3,4,5-trihydroxyoxane-2-carboxylic acid;3-[3-[2-(2,2-dimethylpropanoyloxymethyl)-5-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]prop-2-ynoxy]propane-1-sulfonic acid (CID 161045237) is (2R)-2-[[(3S,6R)-9-(carbamoylamino)-6-[[4-(2,2-dimethylpropanoyloxymethyl)phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamoyl]-9-(2,5-dioxopyrrol-1-yl)-4-oxononane-1-sulfonic acid;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-(6-ethenylsulfonylhexanoylamino)-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;(2S,3S,4R,5R,6S)-6-[2-[2-(2,2-dimethylpropanoyloxymethyl)-5-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]ethynyl]-3,4,5-trihydroxyoxane-2-carboxylic acid;3-[3-[2-(2,2-dimethylpropanoyloxymethyl)-5-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]prop-2-ynoxy]propane-1-sulfonic acid.

What is the SMILES notation for (2R)-2-[[(3S,6R)-9-(carbamoylamino)-6-[[4-(2,2-dimethylpropanoyloxymethyl)phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamoyl]-9-(2,5-dioxopyrrol-1-yl)-4-oxononane-1-sulfonic acid;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-(6-ethenylsulfonylhexanoylamino)-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;(2S,3S,4R,5R,6S)-6-[2-[2-(2,2-dimethylpropanoyloxymethyl)-5-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]ethynyl]-3,4,5-trihydroxyoxane-2-carboxylic acid;3-[3-[2-(2,2-dimethylpropanoyloxymethyl)-5-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]prop-2-ynoxy]propane-1-sulfonic acid?

The canonical SMILES for (2R)-2-[[(3S,6R)-9-(carbamoylamino)-6-[[4-(2,2-dimethylpropanoyloxymethyl)phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamoyl]-9-(2,5-dioxopyrrol-1-yl)-4-oxononane-1-sulfonic acid;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-(6-ethenylsulfonylhexanoylamino)-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;(2S,3S,4R,5R,6S)-6-[2-[2-(2,2-dimethylpropanoyloxymethyl)-5-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]ethynyl]-3,4,5-trihydroxyoxane-2-carboxylic acid;3-[3-[2-(2,2-dimethylpropanoyloxymethyl)-5-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]prop-2-ynoxy]propane-1-sulfonic acid is C=CS(=O)(=O)CCCCCC(=O)N[C@H](C(=O)C[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)C(C)(C)C)cc1)C(C)C.CC(C)[C@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)C[C@@H](C)C(=O)Nc1ccc(COC(=O)C(C)(C)C)c(C#CCOCCCS(=O)(=O)O)c1.CC(C)[C@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)C[C@@H](C)C(=O)Nc1ccc(COC(=O)C(C)(C)C)c(C#C[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c1.CC(C)[C@H](NC(=O)[C@@H](CC(=O)CCCCCN1C(=O)C=CC1=O)CS(=O)(=O)O)C(=O)C[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)C(C)(C)C)cc1.

What is the InChIKey of (2R)-2-[[(3S,6R)-9-(carbamoylamino)-6-[[4-(2,2-dimethylpropanoyloxymethyl)phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamoyl]-9-(2,5-dioxopyrrol-1-yl)-4-oxononane-1-sulfonic acid;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-(6-ethenylsulfonylhexanoylamino)-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;(2S,3S,4R,5R,6S)-6-[2-[2-(2,2-dimethylpropanoyloxymethyl)-5-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]ethynyl]-3,4,5-trihydroxyoxane-2-carboxylic acid;3-[3-[2-(2,2-dimethylpropanoyloxymethyl)-5-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]prop-2-ynoxy]propane-1-sulfonic acid?

The InChIKey is UBKNBZRKKTZWTL-SZNCJTCPSA-N. The full InChI is InChI=1S/C39H51N3O13.C38H55N5O12S.C37H51N3O11S.C32H50N4O8S/c1-21(2)31(41-28(44)10-8-7-9-17-42-29(45)15-16-30(42)46)26(43)18-22(3)36(50)40-25-13-11-24(20-54-38(53)39(4,5)6)23(19-25)12-14-27-32(47)33(48)34(49)35(55-27)37(51)52;1-24(2)33(42-35(49)27(23-56(52,53)54)20-29(44)11-7-6-8-19-43-31(46)16-17-32(43)47)30(45)21-26(10-9-18-40-37(39)51)34(48)41-28-14-12-25(13-15-28)22-55-36(50)38(3,4)5;1-25(2)34(39-31(42)13-8-7-9-18-40-32(43)16-17-33(40)44)30(41)22-26(3)35(45)38-29-15-14-28(24-51-36(46)37(4,5)6)27(23-29)12-10-19-50-20-11-21-52(47,48)49;1-7-45(42,43)19-10-8-9-13-27(38)36-28(22(2)3)26(37)20-24(12-11-18-34-31(33)41)29(39)35-25-16-14-23(15-17-25)21-44-30(40)32(4,5)6/h11,13,15-16,19,21-22,27,31-35,47-49H,7-10,17-18,20H2,1-6H3,(H,40,50)(H,41,44)(H,51,52);12-17,24,26-27,33H,6-11,18-23H2,1-5H3,(H,41,48)(H,42,49)(H3,39,40,51)(H,52,53,54);14-17,23,25-26,34H,7-9,11,13,18-22,24H2,1-6H3,(H,38,45)(H,39,42)(H,47,48,49);7,14-17,22,24,28H,1,8-13,18-21H2,2-6H3,(H,35,39)(H,36,38)(H3,33,34,41)/t22-,27+,31+,32+,33-,34+,35+;26-,27+,33+;26-,34+;24-,28+/m1111/s1.

What are the key properties of (2R)-2-[[(3S,6R)-9-(carbamoylamino)-6-[[4-(2,2-dimethylpropanoyloxymethyl)phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamoyl]-9-(2,5-dioxopyrrol-1-yl)-4-oxononane-1-sulfonic acid;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-(6-ethenylsulfonylhexanoylamino)-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;(2S,3S,4R,5R,6S)-6-[2-[2-(2,2-dimethylpropanoyloxymethyl)-5-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]ethynyl]-3,4,5-trihydroxyoxane-2-carboxylic acid;3-[3-[2-(2,2-dimethylpropanoyloxymethyl)-5-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]prop-2-ynoxy]propane-1-sulfonic acid?

(2R)-2-[[(3S,6R)-9-(carbamoylamino)-6-[[4-(2,2-dimethylpropanoyloxymethyl)phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamoyl]-9-(2,5-dioxopyrrol-1-yl)-4-oxononane-1-sulfonic acid;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-(6-ethenylsulfonylhexanoylamino)-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;(2S,3S,4R,5R,6S)-6-[2-[2-(2,2-dimethylpropanoyloxymethyl)-5-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]ethynyl]-3,4,5-trihydroxyoxane-2-carboxylic acid;3-[3-[2-(2,2-dimethylpropanoyloxymethyl)-5-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]prop-2-ynoxy]propane-1-sulfonic acid has a molecular weight of 2972.52 g/mol, XLogP of 11.63, 80 rotatable bonds, 18 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[[(3S,6R)-9-(carbamoylamino)-6-[[4-(2,2-dimethylpropanoyloxymethyl)phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamoyl]-9-(2,5-dioxopyrrol-1-yl)-4-oxononane-1-sulfonic acid;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-(6-ethenylsulfonylhexanoylamino)-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;(2S,3S,4R,5R,6S)-6-[2-[2-(2,2-dimethylpropanoyloxymethyl)-5-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]ethynyl]-3,4,5-trihydroxyoxane-2-carboxylic acid;3-[3-[2-(2,2-dimethylpropanoyloxymethyl)-5-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]prop-2-ynoxy]propane-1-sulfonic acid is sourced from PubChem (CID 161045237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).