[4-[[5-(carbamoylamino)-2-[[2-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[8-(chloromethyl)-6-[3-[8-(chloromethyl)-1-methyl-4-phosphonooxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]bicyclo[1.1.1]pentane-1-carbonyl]-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-4-yl]oxycarbothioyl-methylamino]ethyl]-N-methylcarbamate;O-[[8-(chloromethyl)-6-[3-[8-(chloromethyl)-1-methyl-4-phosphonooxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]bicyclo[1.1.1]pentane-1-carbonyl]-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-4-yl]] N-[2-[[4-[[2-[3-(carbamoylamino)propyl]-5-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbothioyl-methylamino]ethyl]-N-methylcarbamothioate

C149H195Cl4N23O41P2S3 — CID 161134542

About [4-[[5-(carbamoylamino)-2-[[2-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[8-(chloromethyl)-6-[3-[8-(chloromethyl)-1-methyl-4-phosphonooxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]bicyclo[1.1.1]pentane-1-carbonyl]-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-4-yl]oxycarbothioyl-methylamino]ethyl]-N-methylcarbamate;O-[[8-(chloromethyl)-6-[3-[8-(chloromethyl)-1-methyl-4-phosphonooxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]bicyclo[1.1.1]pentane-1-carbonyl]-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-4-yl]] N-[2-[[4-[[2-[3-(carbamoylamino)propyl]-5-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbothioyl-methylamino]ethyl]-N-methylcarbamothioate

[4-[[5-(carbamoylamino)-2-[[2-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[8-(chloromethyl)-6-[3-[8-(chloromethyl)-1-methyl-4-phosphonooxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]bicyclo[1.1.1]pentane-1-carbonyl]-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-4-yl]oxycarbothioyl-methylamino]ethyl]-N-methylcarbamate;O-[[8-(chloromethyl)-6-[3-[8-(chloromethyl)-1-methyl-4-phosphonooxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]bicyclo[1.1.1]pentane-1-carbonyl]-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-4-yl]] N-[2-[[4-[[2-[3-(carbamoylamino)propyl]-5-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbothioyl-methylamino]ethyl]-N-methylcarbamothioate (PubChem CID 161134542) has the molecular formula C149H195Cl4N23O41P2S3 and a molecular weight of 3264.28 g/mol. Its IUPAC name is [4-[[5-(carbamoylamino)-2-[[2-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[8-(chloromethyl)-6-[3-[8-(chloromethyl)-1-methyl-4-phosphonooxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]bicyclo[1.1.1]pentane-1-carbonyl]-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-4-yl]oxycarbothioyl-methylamino]ethyl]-N-methylcarbamate;O-[[8-(chloromethyl)-6-[3-[8-(chloromethyl)-1-methyl-4-phosphonooxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]bicyclo[1.1.1]pentane-1-carbonyl]-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-4-yl]] N-[2-[[4-[[2-[3-(carbamoylamino)propyl]-5-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbothioyl-methylamino]ethyl]-N-methylcarbamothioate.

Molecular Properties

• Compound Name: [4-[[5-(carbamoylamino)-2-[[2-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[8-(chloromethyl)-6-[3-[8-(chloromethyl)-1-methyl-4-phosphonooxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]bicyclo[1.1.1]pentane-1-carbonyl]-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-4-yl]oxycarbothioyl-methylamino]ethyl]-N-methylcarbamate;O-[[8-(chloromethyl)-6-[3-[8-(chloromethyl)-1-methyl-4-phosphonooxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]bicyclo[1.1.1]pentane-1-carbonyl]-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-4-yl]] N-[2-[[4-[[2-[3-(carbamoylamino)propyl]-5-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbothioyl-methylamino]ethyl]-N-methylcarbamothioate
• PubChem CID: 161134542
• Molecular Formula: C149H195Cl4N23O41P2S3
• Molecular Weight: 3264.28 g/mol
• Exact Mass: 3260.13
• IUPAC Name: [4-[[5-(carbamoylamino)-2-[[2-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[8-(chloromethyl)-6-[3-[8-(chloromethyl)-1-methyl-4-phosphonooxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]bicyclo[1.1.1]pentane-1-carbonyl]-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-4-yl]oxycarbothioyl-methylamino]ethyl]-N-methylcarbamate;O-[[8-(chloromethyl)-6-[3-[8-(chloromethyl)-1-methyl-4-phosphonooxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]bicyclo[1.1.1]pentane-1-carbonyl]-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-4-yl]] N-[2-[[4-[[2-[3-(carbamoylamino)propyl]-5-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbothioyl-methylamino]ethyl]-N-methylcarbamothioate
• SMILES: Cc1c[nH]c2c(OC(=S)N(C)CCN(C)C(=O)OCc3ccc(NC(=O)C(CCCNC(N)=O)NC(=O)C(NC(=O)CCOCCOCCOCCOCCOCCOCCN4C(=O)C=CC4=O)C(C)C)cc3)cc3c(c12)C(CCl)CN3C(=O)C12CC(C(=O)N3CC(CCl)c4c3cc(OP(=O)(O)O)c3[nH]cc(C)c43)(C1)C2.Cc1c[nH]c2c(OC(=S)N(C)CCN(C)C(=S)OCc3ccc(NC(=O)C(CCCNC(N)=O)CC(=O)C(NC(=O)CCOCCOCCOCCOCCOCCOCCN4C(=O)C=CC4=O)C(C)C)cc3)cc3c(c12)C(CCl)CN3C(=O)C12CC(C(=O)N3CC(CCl)c4c3cc(OP(=O)(O)O)c3[nH]cc(C)c43)(C1)C2
• InChI: InChI=1S/C75H98Cl2N11O20PS2.C74H97Cl2N12O21PS/c1-45(2)65(83-58(90)15-20-100-22-24-102-26-28-104-30-31-105-29-27-103-25-23-101-21-19-86-59(91)13-14-60(86)92)55(89)32-49(8-7-16-79-71(78)96)68(93)82-52-11-9-48(10-12-52)41-106-72(110)84(5)17-18-85(6)73(111)107-56-33-53-63(61-46(3)37-80-66(56)61)50(35-76)39-87(53)69(94)74-42-75(43-74,44-74)70(95)88-40-51(36-77)64-54(88)34-57(108-109(97,98)99)67-62(64)47(4)38-81-67;1-44(2)63(83-56(89)15-20-101-22-24-103-26-28-105-30-31-106-29-27-104-25-23-102-21-19-86-57(90)13-14-58(86)91)67(93)82-51(8-7-16-78-70(77)96)66(92)81-50-11-9-47(10-12-50)40-107-71(97)84(5)17-18-85(6)72(111)108-54-32-52-61(59-45(3)36-79-64(54)59)48(34-75)38-87(52)68(94)73-41-74(42-73,43-73)69(95)88-39-49(35-76)62-53(88)33-55(109-110(98,99)100)65-60(62)46(4)37-80-65/h9-14,33-34,37-38,45,49-51,65,80-81H,7-8,15-32,35-36,39-44H2,1-6H3,(H,82,93)(H,83,90)(H3,78,79,96)(H2,97,98,99);9-14,32-33,36-37,44,48-49,51,63,79-80H,7-8,15-31,34-35,38-43H2,1-6H3,(H,81,92)(H,82,93)(H,83,89)(H3,77,78,96)(H2,98,99,100)
• InChIKey: UMPUPAPJXOWVIK-UHFFFAOYSA-N
• XLogP: 13.73
• TPSA: 803.20 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 40
• Rotatable Bonds: 87
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3264.28
LogP ≤ 5	13.73
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[[5-(carbamoylamino)-2-[[2-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[8-(chloromethyl)-6-[3-[8-(chloromethyl)-1-methyl-4-phosphonooxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]bicyclo[1.1.1]pentane-1-carbonyl]-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-4-yl]oxycarbothioyl-methylamino]ethyl]-N-methylcarbamate;O-[[8-(chloromethyl)-6-[3-[8-(chloromethyl)-1-methyl-4-phosphonooxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]bicyclo[1.1.1]pentane-1-carbonyl]-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-4-yl]] N-[2-[[4-[[2-[3-(carbamoylamino)propyl]-5-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbothioyl-methylamino]ethyl]-N-methylcarbamothioate?

The IUPAC name of [4-[[5-(carbamoylamino)-2-[[2-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[8-(chloromethyl)-6-[3-[8-(chloromethyl)-1-methyl-4-phosphonooxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]bicyclo[1.1.1]pentane-1-carbonyl]-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-4-yl]oxycarbothioyl-methylamino]ethyl]-N-methylcarbamate;O-[[8-(chloromethyl)-6-[3-[8-(chloromethyl)-1-methyl-4-phosphonooxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]bicyclo[1.1.1]pentane-1-carbonyl]-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-4-yl]] N-[2-[[4-[[2-[3-(carbamoylamino)propyl]-5-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbothioyl-methylamino]ethyl]-N-methylcarbamothioate (CID 161134542) is [4-[[5-(carbamoylamino)-2-[[2-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[8-(chloromethyl)-6-[3-[8-(chloromethyl)-1-methyl-4-phosphonooxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]bicyclo[1.1.1]pentane-1-carbonyl]-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-4-yl]oxycarbothioyl-methylamino]ethyl]-N-methylcarbamate;O-[[8-(chloromethyl)-6-[3-[8-(chloromethyl)-1-methyl-4-phosphonooxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]bicyclo[1.1.1]pentane-1-carbonyl]-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-4-yl]] N-[2-[[4-[[2-[3-(carbamoylamino)propyl]-5-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbothioyl-methylamino]ethyl]-N-methylcarbamothioate.

What is the SMILES notation for [4-[[5-(carbamoylamino)-2-[[2-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[8-(chloromethyl)-6-[3-[8-(chloromethyl)-1-methyl-4-phosphonooxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]bicyclo[1.1.1]pentane-1-carbonyl]-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-4-yl]oxycarbothioyl-methylamino]ethyl]-N-methylcarbamate;O-[[8-(chloromethyl)-6-[3-[8-(chloromethyl)-1-methyl-4-phosphonooxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]bicyclo[1.1.1]pentane-1-carbonyl]-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-4-yl]] N-[2-[[4-[[2-[3-(carbamoylamino)propyl]-5-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbothioyl-methylamino]ethyl]-N-methylcarbamothioate?

The canonical SMILES for [4-[[5-(carbamoylamino)-2-[[2-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[8-(chloromethyl)-6-[3-[8-(chloromethyl)-1-methyl-4-phosphonooxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]bicyclo[1.1.1]pentane-1-carbonyl]-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-4-yl]oxycarbothioyl-methylamino]ethyl]-N-methylcarbamate;O-[[8-(chloromethyl)-6-[3-[8-(chloromethyl)-1-methyl-4-phosphonooxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]bicyclo[1.1.1]pentane-1-carbonyl]-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-4-yl]] N-[2-[[4-[[2-[3-(carbamoylamino)propyl]-5-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbothioyl-methylamino]ethyl]-N-methylcarbamothioate is Cc1c[nH]c2c(OC(=S)N(C)CCN(C)C(=O)OCc3ccc(NC(=O)C(CCCNC(N)=O)NC(=O)C(NC(=O)CCOCCOCCOCCOCCOCCOCCN4C(=O)C=CC4=O)C(C)C)cc3)cc3c(c12)C(CCl)CN3C(=O)C12CC(C(=O)N3CC(CCl)c4c3cc(OP(=O)(O)O)c3[nH]cc(C)c43)(C1)C2.Cc1c[nH]c2c(OC(=S)N(C)CCN(C)C(=S)OCc3ccc(NC(=O)C(CCCNC(N)=O)CC(=O)C(NC(=O)CCOCCOCCOCCOCCOCCOCCN4C(=O)C=CC4=O)C(C)C)cc3)cc3c(c12)C(CCl)CN3C(=O)C12CC(C(=O)N3CC(CCl)c4c3cc(OP(=O)(O)O)c3[nH]cc(C)c43)(C1)C2.

What is the InChIKey of [4-[[5-(carbamoylamino)-2-[[2-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[8-(chloromethyl)-6-[3-[8-(chloromethyl)-1-methyl-4-phosphonooxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]bicyclo[1.1.1]pentane-1-carbonyl]-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-4-yl]oxycarbothioyl-methylamino]ethyl]-N-methylcarbamate;O-[[8-(chloromethyl)-6-[3-[8-(chloromethyl)-1-methyl-4-phosphonooxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]bicyclo[1.1.1]pentane-1-carbonyl]-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-4-yl]] N-[2-[[4-[[2-[3-(carbamoylamino)propyl]-5-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbothioyl-methylamino]ethyl]-N-methylcarbamothioate?

The InChIKey is UMPUPAPJXOWVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H98Cl2N11O20PS2.C74H97Cl2N12O21PS/c1-45(2)65(83-58(90)15-20-100-22-24-102-26-28-104-30-31-105-29-27-103-25-23-101-21-19-86-59(91)13-14-60(86)92)55(89)32-49(8-7-16-79-71(78)96)68(93)82-52-11-9-48(10-12-52)41-106-72(110)84(5)17-18-85(6)73(111)107-56-33-53-63(61-46(3)37-80-66(56)61)50(35-76)39-87(53)69(94)74-42-75(43-74,44-74)70(95)88-40-51(36-77)64-54(88)34-57(108-109(97,98)99)67-62(64)47(4)38-81-67;1-44(2)63(83-56(89)15-20-101-22-24-103-26-28-105-30-31-106-29-27-104-25-23-102-21-19-86-57(90)13-14-58(86)91)67(93)82-51(8-7-16-78-70(77)96)66(92)81-50-11-9-47(10-12-50)40-107-71(97)84(5)17-18-85(6)72(111)108-54-32-52-61(59-45(3)36-79-64(54)59)48(34-75)38-87(52)68(94)73-41-74(42-73,43-73)69(95)88-39-49(35-76)62-53(88)33-55(109-110(98,99)100)65-60(62)46(4)37-80-65/h9-14,33-34,37-38,45,49-51,65,80-81H,7-8,15-32,35-36,39-44H2,1-6H3,(H,82,93)(H,83,90)(H3,78,79,96)(H2,97,98,99);9-14,32-33,36-37,44,48-49,51,63,79-80H,7-8,15-31,34-35,38-43H2,1-6H3,(H,81,92)(H,82,93)(H,83,89)(H3,77,78,96)(H2,98,99,100).

What are the key properties of [4-[[5-(carbamoylamino)-2-[[2-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[8-(chloromethyl)-6-[3-[8-(chloromethyl)-1-methyl-4-phosphonooxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]bicyclo[1.1.1]pentane-1-carbonyl]-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-4-yl]oxycarbothioyl-methylamino]ethyl]-N-methylcarbamate;O-[[8-(chloromethyl)-6-[3-[8-(chloromethyl)-1-methyl-4-phosphonooxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]bicyclo[1.1.1]pentane-1-carbonyl]-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-4-yl]] N-[2-[[4-[[2-[3-(carbamoylamino)propyl]-5-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbothioyl-methylamino]ethyl]-N-methylcarbamothioate?

[4-[[5-(carbamoylamino)-2-[[2-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[8-(chloromethyl)-6-[3-[8-(chloromethyl)-1-methyl-4-phosphonooxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]bicyclo[1.1.1]pentane-1-carbonyl]-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-4-yl]oxycarbothioyl-methylamino]ethyl]-N-methylcarbamate;O-[[8-(chloromethyl)-6-[3-[8-(chloromethyl)-1-methyl-4-phosphonooxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]bicyclo[1.1.1]pentane-1-carbonyl]-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-4-yl]] N-[2-[[4-[[2-[3-(carbamoylamino)propyl]-5-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbothioyl-methylamino]ethyl]-N-methylcarbamothioate has a molecular weight of 3264.28 g/mol, XLogP of 13.73, 87 rotatable bonds, 17 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[5-(carbamoylamino)-2-[[2-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[8-(chloromethyl)-6-[3-[8-(chloromethyl)-1-methyl-4-phosphonooxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]bicyclo[1.1.1]pentane-1-carbonyl]-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-4-yl]oxycarbothioyl-methylamino]ethyl]-N-methylcarbamate;O-[[8-(chloromethyl)-6-[3-[8-(chloromethyl)-1-methyl-4-phosphonooxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]bicyclo[1.1.1]pentane-1-carbonyl]-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-4-yl]] N-[2-[[4-[[2-[3-(carbamoylamino)propyl]-5-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbothioyl-methylamino]ethyl]-N-methylcarbamothioate is sourced from PubChem (CID 161134542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).