[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[5-[(2-chloroacetyl)amino]pentanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl acetate;[4-[[(2R,5S)-5-[5-[(2-chloroacetyl)amino]pentanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;(2R)-2-[[(3S,6R)-7-[4-(2,2-dimethylpropanoyloxymethyl)anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]carbamoyl]-9-(2,5-dioxopyrrol-1-yl)-4-oxononane-1-sulfonic acid;[4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxohexanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate

C170H251Cl2N21O49S — CID 159915701

About [4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[5-[(2-chloroacetyl)amino]pentanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl acetate;[4-[[(2R,5S)-5-[5-[(2-chloroacetyl)amino]pentanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;(2R)-2-[[(3S,6R)-7-[4-(2,2-dimethylpropanoyloxymethyl)anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]carbamoyl]-9-(2,5-dioxopyrrol-1-yl)-4-oxononane-1-sulfonic acid;[4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxohexanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate

[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[5-[(2-chloroacetyl)amino]pentanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl acetate;[4-[[(2R,5S)-5-[5-[(2-chloroacetyl)amino]pentanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;(2R)-2-[[(3S,6R)-7-[4-(2,2-dimethylpropanoyloxymethyl)anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]carbamoyl]-9-(2,5-dioxopyrrol-1-yl)-4-oxononane-1-sulfonic acid;[4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxohexanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate (PubChem CID 159915701) has the molecular formula C170H251Cl2N21O49S and a molecular weight of 3475.95 g/mol. Its IUPAC name is [4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[5-[(2-chloroacetyl)amino]pentanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl acetate;[4-[[(2R,5S)-5-[5-[(2-chloroacetyl)amino]pentanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;(2R)-2-[[(3S,6R)-7-[4-(2,2-dimethylpropanoyloxymethyl)anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]carbamoyl]-9-(2,5-dioxopyrrol-1-yl)-4-oxononane-1-sulfonic acid;[4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxohexanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: [4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[5-[(2-chloroacetyl)amino]pentanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl acetate;[4-[[(2R,5S)-5-[5-[(2-chloroacetyl)amino]pentanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;(2R)-2-[[(3S,6R)-7-[4-(2,2-dimethylpropanoyloxymethyl)anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]carbamoyl]-9-(2,5-dioxopyrrol-1-yl)-4-oxononane-1-sulfonic acid;[4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxohexanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate
• PubChem CID: 159915701
• Molecular Formula: C170H251Cl2N21O49S
• Molecular Weight: 3475.95 g/mol
• Exact Mass: 3472.69
• IUPAC Name: [4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[5-[(2-chloroacetyl)amino]pentanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl acetate;[4-[[(2R,5S)-5-[5-[(2-chloroacetyl)amino]pentanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;(2R)-2-[[(3S,6R)-7-[4-(2,2-dimethylpropanoyloxymethyl)anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]carbamoyl]-9-(2,5-dioxopyrrol-1-yl)-4-oxononane-1-sulfonic acid;[4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxohexanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate
• SMILES: CC(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)CC(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCNC(=O)CCN2C(=O)C=CC2=O)C(C)C)cc1.CC(C)[C@H](NC(=O)CCCCNC(=O)CCl)C(=O)C[C@@H](C)C(=O)Nc1ccc(COC(=O)C(C)(C)C)cc1.CC(C)[C@H](NC(=O)CCCCNC(=O)CCl)C(=O)C[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)C(C)(C)C)cc1.CC(C)[C@H](NC(=O)[C@@H](CC(=O)CCCCCN1C(=O)C=CC1=O)CS(=O)(=O)O)C(=O)C[C@@H](C)C(=O)Nc1ccc(COC(=O)C(C)(C)C)cc1.C[C@H](CC(=O)[C@H](C)NC(=O)CCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O)C(=O)Nc1ccc(COC(=O)C(C)(C)C)cc1
• InChI: InChI=1S/C39H58N6O13.C37H54N4O12.C35H49N3O11S.C31H48ClN5O7.C28H42ClN3O6/c1-27(2)37(32(47)25-30(5-4-14-42-39(40)53)38(52)43-31-8-6-29(7-9-31)26-58-28(3)46)44-34(49)13-17-54-19-21-56-23-24-57-22-20-55-18-15-41-33(48)12-16-45-35(50)10-11-36(45)51;1-26(35(47)40-29-8-6-28(7-9-29)25-53-36(48)37(3,4)5)24-30(42)27(2)39-32(44)13-16-49-18-20-51-22-23-52-21-19-50-17-14-38-31(43)12-15-41-33(45)10-11-34(41)46;1-22(2)31(28(40)18-23(3)32(43)36-26-13-11-24(12-14-26)20-49-34(45)35(4,5)6)37-33(44)25(21-50(46,47)48)19-27(39)10-8-7-9-17-38-29(41)15-16-30(38)42;1-20(2)27(37-25(39)10-6-7-15-34-26(40)18-32)24(38)17-22(9-8-16-35-30(33)43)28(41)36-23-13-11-21(12-14-23)19-44-29(42)31(3,4)5;1-18(2)25(32-23(34)9-7-8-14-30-24(35)16-29)22(33)15-19(3)26(36)31-21-12-10-20(11-13-21)17-38-27(37)28(4,5)6/h6-11,27,30,37H,4-5,12-26H2,1-3H3,(H,41,48)(H,43,52)(H,44,49)(H3,40,42,53);6-11,26-27H,12-25H2,1-5H3,(H,38,43)(H,39,44)(H,40,47);11-16,22-23,25,31H,7-10,17-21H2,1-6H3,(H,36,43)(H,37,44)(H,46,47,48);11-14,20,22,27H,6-10,15-19H2,1-5H3,(H,34,40)(H,36,41)(H,37,39)(H3,33,35,43);10-13,18-19,25H,7-9,14-17H2,1-6H3,(H,30,35)(H,31,36)(H,32,34)/t30-,37+;26-,27+;23-,25+,31+;22-,27+;19-,25+/m11111/s1
• InChIKey: NXTFKKLOYRKEKG-RORZBFJNSA-N
• XLogP: 13.22
• TPSA: 991.91 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 48
• Rotatable Bonds: 111
• Heavy Atoms: 243
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3475.95
LogP ≤ 5	13.22
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[5-[(2-chloroacetyl)amino]pentanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl acetate;[4-[[(2R,5S)-5-[5-[(2-chloroacetyl)amino]pentanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;(2R)-2-[[(3S,6R)-7-[4-(2,2-dimethylpropanoyloxymethyl)anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]carbamoyl]-9-(2,5-dioxopyrrol-1-yl)-4-oxononane-1-sulfonic acid;[4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxohexanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate?

The IUPAC name of [4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[5-[(2-chloroacetyl)amino]pentanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl acetate;[4-[[(2R,5S)-5-[5-[(2-chloroacetyl)amino]pentanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;(2R)-2-[[(3S,6R)-7-[4-(2,2-dimethylpropanoyloxymethyl)anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]carbamoyl]-9-(2,5-dioxopyrrol-1-yl)-4-oxononane-1-sulfonic acid;[4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxohexanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate (CID 159915701) is [4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[5-[(2-chloroacetyl)amino]pentanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl acetate;[4-[[(2R,5S)-5-[5-[(2-chloroacetyl)amino]pentanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;(2R)-2-[[(3S,6R)-7-[4-(2,2-dimethylpropanoyloxymethyl)anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]carbamoyl]-9-(2,5-dioxopyrrol-1-yl)-4-oxononane-1-sulfonic acid;[4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxohexanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate.

What is the SMILES notation for [4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[5-[(2-chloroacetyl)amino]pentanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl acetate;[4-[[(2R,5S)-5-[5-[(2-chloroacetyl)amino]pentanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;(2R)-2-[[(3S,6R)-7-[4-(2,2-dimethylpropanoyloxymethyl)anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]carbamoyl]-9-(2,5-dioxopyrrol-1-yl)-4-oxononane-1-sulfonic acid;[4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxohexanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate?

The canonical SMILES for [4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[5-[(2-chloroacetyl)amino]pentanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl acetate;[4-[[(2R,5S)-5-[5-[(2-chloroacetyl)amino]pentanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;(2R)-2-[[(3S,6R)-7-[4-(2,2-dimethylpropanoyloxymethyl)anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]carbamoyl]-9-(2,5-dioxopyrrol-1-yl)-4-oxononane-1-sulfonic acid;[4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxohexanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate is CC(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)CC(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCNC(=O)CCN2C(=O)C=CC2=O)C(C)C)cc1.CC(C)[C@H](NC(=O)CCCCNC(=O)CCl)C(=O)C[C@@H](C)C(=O)Nc1ccc(COC(=O)C(C)(C)C)cc1.CC(C)[C@H](NC(=O)CCCCNC(=O)CCl)C(=O)C[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)C(C)(C)C)cc1.CC(C)[C@H](NC(=O)[C@@H](CC(=O)CCCCCN1C(=O)C=CC1=O)CS(=O)(=O)O)C(=O)C[C@@H](C)C(=O)Nc1ccc(COC(=O)C(C)(C)C)cc1.C[C@H](CC(=O)[C@H](C)NC(=O)CCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O)C(=O)Nc1ccc(COC(=O)C(C)(C)C)cc1.

What is the InChIKey of [4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[5-[(2-chloroacetyl)amino]pentanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl acetate;[4-[[(2R,5S)-5-[5-[(2-chloroacetyl)amino]pentanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;(2R)-2-[[(3S,6R)-7-[4-(2,2-dimethylpropanoyloxymethyl)anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]carbamoyl]-9-(2,5-dioxopyrrol-1-yl)-4-oxononane-1-sulfonic acid;[4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxohexanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate?

The InChIKey is NXTFKKLOYRKEKG-RORZBFJNSA-N. The full InChI is InChI=1S/C39H58N6O13.C37H54N4O12.C35H49N3O11S.C31H48ClN5O7.C28H42ClN3O6/c1-27(2)37(32(47)25-30(5-4-14-42-39(40)53)38(52)43-31-8-6-29(7-9-31)26-58-28(3)46)44-34(49)13-17-54-19-21-56-23-24-57-22-20-55-18-15-41-33(48)12-16-45-35(50)10-11-36(45)51;1-26(35(47)40-29-8-6-28(7-9-29)25-53-36(48)37(3,4)5)24-30(42)27(2)39-32(44)13-16-49-18-20-51-22-23-52-21-19-50-17-14-38-31(43)12-15-41-33(45)10-11-34(41)46;1-22(2)31(28(40)18-23(3)32(43)36-26-13-11-24(12-14-26)20-49-34(45)35(4,5)6)37-33(44)25(21-50(46,47)48)19-27(39)10-8-7-9-17-38-29(41)15-16-30(38)42;1-20(2)27(37-25(39)10-6-7-15-34-26(40)18-32)24(38)17-22(9-8-16-35-30(33)43)28(41)36-23-13-11-21(12-14-23)19-44-29(42)31(3,4)5;1-18(2)25(32-23(34)9-7-8-14-30-24(35)16-29)22(33)15-19(3)26(36)31-21-12-10-20(11-13-21)17-38-27(37)28(4,5)6/h6-11,27,30,37H,4-5,12-26H2,1-3H3,(H,41,48)(H,43,52)(H,44,49)(H3,40,42,53);6-11,26-27H,12-25H2,1-5H3,(H,38,43)(H,39,44)(H,40,47);11-16,22-23,25,31H,7-10,17-21H2,1-6H3,(H,36,43)(H,37,44)(H,46,47,48);11-14,20,22,27H,6-10,15-19H2,1-5H3,(H,34,40)(H,36,41)(H,37,39)(H3,33,35,43);10-13,18-19,25H,7-9,14-17H2,1-6H3,(H,30,35)(H,31,36)(H,32,34)/t30-,37+;26-,27+;23-,25+,31+;22-,27+;19-,25+/m11111/s1.

What are the key properties of [4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[5-[(2-chloroacetyl)amino]pentanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl acetate;[4-[[(2R,5S)-5-[5-[(2-chloroacetyl)amino]pentanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;(2R)-2-[[(3S,6R)-7-[4-(2,2-dimethylpropanoyloxymethyl)anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]carbamoyl]-9-(2,5-dioxopyrrol-1-yl)-4-oxononane-1-sulfonic acid;[4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxohexanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate?

[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[5-[(2-chloroacetyl)amino]pentanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl acetate;[4-[[(2R,5S)-5-[5-[(2-chloroacetyl)amino]pentanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;(2R)-2-[[(3S,6R)-7-[4-(2,2-dimethylpropanoyloxymethyl)anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]carbamoyl]-9-(2,5-dioxopyrrol-1-yl)-4-oxononane-1-sulfonic acid;[4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxohexanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate has a molecular weight of 3475.95 g/mol, XLogP of 13.22, 111 rotatable bonds, 19 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[5-[(2-chloroacetyl)amino]pentanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl acetate;[4-[[(2R,5S)-5-[5-[(2-chloroacetyl)amino]pentanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate;(2R)-2-[[(3S,6R)-7-[4-(2,2-dimethylpropanoyloxymethyl)anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]carbamoyl]-9-(2,5-dioxopyrrol-1-yl)-4-oxononane-1-sulfonic acid;[4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxohexanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 159915701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).