[4-[[(2R,5S)-5-(butanoylamino)-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[[(2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;tert-butyl acetate;[2-[[1-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[[(2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]azanium;2,2,2-trifluoroacetic acid

C137H220F3N18O32+ — CID 165060448

About [4-[[(2R,5S)-5-(butanoylamino)-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[[(2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;tert-butyl acetate;[2-[[1-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[[(2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]azanium;2,2,2-trifluoroacetic acid

[4-[[(2R,5S)-5-(butanoylamino)-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[[(2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;tert-butyl acetate;[2-[[1-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[[(2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]azanium;2,2,2-trifluoroacetic acid (PubChem CID 165060448) has the molecular formula C137H220F3N18O32+ and a molecular weight of 2688.35 g/mol. Its IUPAC name is [4-[[(2R,5S)-5-(butanoylamino)-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[[(2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;tert-butyl acetate;[2-[[1-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[[(2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]azanium;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: [4-[[(2R,5S)-5-(butanoylamino)-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[[(2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;tert-butyl acetate;[2-[[1-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[[(2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]azanium;2,2,2-trifluoroacetic acid
• PubChem CID: 165060448
• Molecular Formula: C137H220F3N18O32+
• Molecular Weight: 2688.35 g/mol
• Exact Mass: 2686.61
• IUPAC Name: [4-[[(2R,5S)-5-(butanoylamino)-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[[(2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;tert-butyl acetate;[2-[[1-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[[(2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]azanium;2,2,2-trifluoroacetic acid
• SMILES: CC(=O)OC(C)(C)C.CCC(C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)C(O)c1ccccc1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)C(CCCNC(N)=O)CC(=O)[C@@H](NC(=O)C(C)NC(=O)CO[NH3+])C(C)C)cc1)C(C)C.CCCC(=O)N[C@H](C(=O)C[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)N(C)[C@H](C(=O)C[C@H](C(=O)N(C)[C@@H](C(C)CC)[C@@H](CC(=O)N2CCC[C@H]2[C@H](OC)[C@@H](C)C(=O)N[C@H](C)C(O)c2ccccc2)OC)C(C)C)C(C)C)cc1)C(C)C.O=C(O)C(F)(F)F
• InChI: InChI=1S/C65H104N10O15.C64H102N8O13.C6H12O2.C2HF3O2/c1-16-40(8)57(52(87-14)34-54(79)75-31-21-25-49(75)59(88-15)41(9)60(81)70-42(10)58(80)45-22-18-17-19-23-45)73(12)63(84)48(37(2)3)33-51(77)56(39(6)7)74(13)65(86)89-35-44-26-28-47(29-27-44)71-62(83)46(24-20-30-68-64(66)85)32-50(76)55(38(4)5)72-61(82)43(11)69-53(78)36-90-67;1-16-23-53(75)69-55(39(5)6)50(73)34-46(26-21-32-66-63(65)81)61(79)68-47-30-28-44(29-31-47)37-85-64(82)71(13)56(40(7)8)51(74)35-48(38(3)4)62(80)70(12)57(41(9)17-2)52(83-14)36-54(76)72-33-22-27-49(72)59(84-15)42(10)60(78)67-43(11)58(77)45-24-19-18-20-25-45;1-5(7)8-6(2,3)4;3-2(4,5)1(6)7/h17-19,22-23,26-29,37-43,46,48-49,52,55-59,80H,16,20-21,24-25,30-36H2,1-15,67H3,(H6-,66,68,69,70,71,72,78,81,82,83,85);18-20,24-25,28-31,38-43,46,48-49,52,55-59,77H,16-17,21-23,26-27,32-37H2,1-15H3,(H,67,78)(H,68,79)(H,69,75)(H3,65,66,81);1-4H3;(H,6,7)/p+1/t40?,41-,42-,43?,46?,48+,49+,52-,55+,56+,57+,58?,59-;41?,42-,43-,46-,48+,49+,52-,55+,56+,57+,58?,59-;;/m11../s1
• InChIKey: SPXSRZGSGKHMFB-GETXWQDISA-O
• XLogP: 14.01
• TPSA: 700.39 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 31
• Rotatable Bonds: 74
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2688.35
LogP ≤ 5	14.01
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[[(2R,5S)-5-(butanoylamino)-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[[(2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;tert-butyl acetate;[2-[[1-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[[(2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]azanium;2,2,2-trifluoroacetic acid?

The IUPAC name of [4-[[(2R,5S)-5-(butanoylamino)-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[[(2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;tert-butyl acetate;[2-[[1-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[[(2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]azanium;2,2,2-trifluoroacetic acid (CID 165060448) is [4-[[(2R,5S)-5-(butanoylamino)-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[[(2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;tert-butyl acetate;[2-[[1-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[[(2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]azanium;2,2,2-trifluoroacetic acid.

What is the SMILES notation for [4-[[(2R,5S)-5-(butanoylamino)-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[[(2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;tert-butyl acetate;[2-[[1-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[[(2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]azanium;2,2,2-trifluoroacetic acid?

The canonical SMILES for [4-[[(2R,5S)-5-(butanoylamino)-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[[(2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;tert-butyl acetate;[2-[[1-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[[(2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]azanium;2,2,2-trifluoroacetic acid is CC(=O)OC(C)(C)C.CCC(C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)C(O)c1ccccc1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)C(CCCNC(N)=O)CC(=O)[C@@H](NC(=O)C(C)NC(=O)CO[NH3+])C(C)C)cc1)C(C)C.CCCC(=O)N[C@H](C(=O)C[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)N(C)[C@H](C(=O)C[C@H](C(=O)N(C)[C@@H](C(C)CC)[C@@H](CC(=O)N2CCC[C@H]2[C@H](OC)[C@@H](C)C(=O)N[C@H](C)C(O)c2ccccc2)OC)C(C)C)C(C)C)cc1)C(C)C.O=C(O)C(F)(F)F.

What is the InChIKey of [4-[[(2R,5S)-5-(butanoylamino)-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[[(2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;tert-butyl acetate;[2-[[1-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[[(2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]azanium;2,2,2-trifluoroacetic acid?

The InChIKey is SPXSRZGSGKHMFB-GETXWQDISA-O. The full InChI is InChI=1S/C65H104N10O15.C64H102N8O13.C6H12O2.C2HF3O2/c1-16-40(8)57(52(87-14)34-54(79)75-31-21-25-49(75)59(88-15)41(9)60(81)70-42(10)58(80)45-22-18-17-19-23-45)73(12)63(84)48(37(2)3)33-51(77)56(39(6)7)74(13)65(86)89-35-44-26-28-47(29-27-44)71-62(83)46(24-20-30-68-64(66)85)32-50(76)55(38(4)5)72-61(82)43(11)69-53(78)36-90-67;1-16-23-53(75)69-55(39(5)6)50(73)34-46(26-21-32-66-63(65)81)61(79)68-47-30-28-44(29-31-47)37-85-64(82)71(13)56(40(7)8)51(74)35-48(38(3)4)62(80)70(12)57(41(9)17-2)52(83-14)36-54(76)72-33-22-27-49(72)59(84-15)42(10)60(78)67-43(11)58(77)45-24-19-18-20-25-45;1-5(7)8-6(2,3)4;3-2(4,5)1(6)7/h17-19,22-23,26-29,37-43,46,48-49,52,55-59,80H,16,20-21,24-25,30-36H2,1-15,67H3,(H6-,66,68,69,70,71,72,78,81,82,83,85);18-20,24-25,28-31,38-43,46,48-49,52,55-59,77H,16-17,21-23,26-27,32-37H2,1-15H3,(H,67,78)(H,68,79)(H,69,75)(H3,65,66,81);1-4H3;(H,6,7)/p+1/t40?,41-,42-,43?,46?,48+,49+,52-,55+,56+,57+,58?,59-;41?,42-,43-,46-,48+,49+,52-,55+,56+,57+,58?,59-;;/m11../s1.

What are the key properties of [4-[[(2R,5S)-5-(butanoylamino)-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[[(2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;tert-butyl acetate;[2-[[1-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[[(2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]azanium;2,2,2-trifluoroacetic acid?

[4-[[(2R,5S)-5-(butanoylamino)-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[[(2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;tert-butyl acetate;[2-[[1-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[[(2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]azanium;2,2,2-trifluoroacetic acid has a molecular weight of 2688.35 g/mol, XLogP of 14.01, 74 rotatable bonds, 15 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[(2R,5S)-5-(butanoylamino)-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[[(2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;tert-butyl acetate;[2-[[1-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[[(2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]azanium;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 165060448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).