bis((2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-3-methyl-2-[3-[2-[2-[2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]propanoylamino]butanoyl]amino]-2-oxohexyl]phenyl]sulfonylamino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide);(2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-6-[2-[2-[2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]-4-oxo-2-propan-2-ylhexanoyl]amino]-2-oxohexyl]phenyl]sulfonylamino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide

C193H322N26O51S6 — CID 161038583

About bis((2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-3-methyl-2-[3-[2-[2-[2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]propanoylamino]butanoyl]amino]-2-oxohexyl]phenyl]sulfonylamino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide);(2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-6-[2-[2-[2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]-4-oxo-2-propan-2-ylhexanoyl]amino]-2-oxohexyl]phenyl]sulfonylamino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide

bis((2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-3-methyl-2-[3-[2-[2-[2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]propanoylamino]butanoyl]amino]-2-oxohexyl]phenyl]sulfonylamino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide);(2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-6-[2-[2-[2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]-4-oxo-2-propan-2-ylhexanoyl]amino]-2-oxohexyl]phenyl]sulfonylamino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide (PubChem CID 161038583) has the molecular formula C193H322N26O51S6 and a molecular weight of 4015.23 g/mol. Its IUPAC name is bis((2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-3-methyl-2-[3-[2-[2-[2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]propanoylamino]butanoyl]amino]-2-oxohexyl]phenyl]sulfonylamino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide);(2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-6-[2-[2-[2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]-4-oxo-2-propan-2-ylhexanoyl]amino]-2-oxohexyl]phenyl]sulfonylamino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide.

Molecular Properties

• Compound Name: bis((2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-3-methyl-2-[3-[2-[2-[2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]propanoylamino]butanoyl]amino]-2-oxohexyl]phenyl]sulfonylamino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide);(2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-6-[2-[2-[2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]-4-oxo-2-propan-2-ylhexanoyl]amino]-2-oxohexyl]phenyl]sulfonylamino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide
• PubChem CID: 161038583
• Molecular Formula: C193H322N26O51S6
• Molecular Weight: 4015.23 g/mol
• Exact Mass: 4012.17
• IUPAC Name: bis((2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-3-methyl-2-[3-[2-[2-[2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]propanoylamino]butanoyl]amino]-2-oxohexyl]phenyl]sulfonylamino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide);(2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-6-[2-[2-[2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]-4-oxo-2-propan-2-ylhexanoyl]amino]-2-oxohexyl]phenyl]sulfonylamino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide
• SMILES: CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)NS(=O)(=O)c1ccc(CC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](CC(=O)CCOCCOCCOCCN2C(=O)CC(SC)C2=O)C(C)C)cc1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C)C(C)C.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)NS(=O)(=O)c1ccc(CC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCOCCOCCOCCN2C(=O)CC(SC)C2=O)C(C)C)cc1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C)C(C)C.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)NS(=O)(=O)c1ccc(CC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCOCCOCCOCCN2C(=O)CC(SC)C2=O)C(C)C)cc1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C)C(C)C
• InChI: InChI=1S/C65H108N8O17S2.2C64H107N9O17S2/c1-16-43(8)59(71(12)63(81)49(41(4)5)37-53(76)58(42(6)7)70(10)11)54(86-13)38-56(77)72-27-18-20-51(72)60(87-14)44(9)61(79)69-92(84,85)47-23-21-45(22-24-47)35-52(75)50(19-17-26-67-65(66)83)68-62(80)48(40(2)3)36-46(74)25-29-88-31-33-90-34-32-89-30-28-73-57(78)39-55(91-15)64(73)82;2*1-16-42(8)58(71(12)62(81)46(39(2)3)36-50(75)57(41(6)7)70(10)11)51(86-13)37-54(77)72-27-18-20-48(72)59(87-14)43(9)60(79)69-92(84,85)45-23-21-44(22-24-45)35-49(74)47(19-17-26-66-64(65)83)67-61(80)56(40(4)5)68-53(76)25-29-88-31-33-90-34-32-89-30-28-73-55(78)38-52(91-15)63(73)82/h21-24,40-44,48-51,54-55,58-60H,16-20,25-39H2,1-15H3,(H,68,80)(H,69,79)(H3,66,67,83);2*21-24,39-43,46-48,51-52,56-59H,16-20,25-38H2,1-15H3,(H,67,80)(H,68,76)(H,69,79)(H3,65,66,83)/t43-,44+,48-,49-,50-,51-,54+,55?,58-,59-,60+;2*42-,43+,46-,47-,48-,51+,52?,56-,57-,58-,59+/m000/s1
• InChIKey: UAOUJUFYIUZIGQ-RPAOTSQTSA-N
• XLogP: 11.13
• TPSA: 1002.24 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 57
• Rotatable Bonds: 133
• Heavy Atoms: 276
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4015.23
LogP ≤ 5	11.13
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	57

Frequently Asked Questions

What is the IUPAC name of bis((2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-3-methyl-2-[3-[2-[2-[2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]propanoylamino]butanoyl]amino]-2-oxohexyl]phenyl]sulfonylamino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide);(2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-6-[2-[2-[2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]-4-oxo-2-propan-2-ylhexanoyl]amino]-2-oxohexyl]phenyl]sulfonylamino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide?

The IUPAC name of bis((2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-3-methyl-2-[3-[2-[2-[2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]propanoylamino]butanoyl]amino]-2-oxohexyl]phenyl]sulfonylamino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide);(2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-6-[2-[2-[2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]-4-oxo-2-propan-2-ylhexanoyl]amino]-2-oxohexyl]phenyl]sulfonylamino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide (CID 161038583) is bis((2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-3-methyl-2-[3-[2-[2-[2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]propanoylamino]butanoyl]amino]-2-oxohexyl]phenyl]sulfonylamino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide);(2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-6-[2-[2-[2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]-4-oxo-2-propan-2-ylhexanoyl]amino]-2-oxohexyl]phenyl]sulfonylamino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide.

What is the SMILES notation for bis((2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-3-methyl-2-[3-[2-[2-[2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]propanoylamino]butanoyl]amino]-2-oxohexyl]phenyl]sulfonylamino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide);(2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-6-[2-[2-[2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]-4-oxo-2-propan-2-ylhexanoyl]amino]-2-oxohexyl]phenyl]sulfonylamino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide?

The canonical SMILES for bis((2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-3-methyl-2-[3-[2-[2-[2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]propanoylamino]butanoyl]amino]-2-oxohexyl]phenyl]sulfonylamino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide);(2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-6-[2-[2-[2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]-4-oxo-2-propan-2-ylhexanoyl]amino]-2-oxohexyl]phenyl]sulfonylamino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide is CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)NS(=O)(=O)c1ccc(CC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](CC(=O)CCOCCOCCOCCN2C(=O)CC(SC)C2=O)C(C)C)cc1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C)C(C)C.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)NS(=O)(=O)c1ccc(CC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCOCCOCCOCCN2C(=O)CC(SC)C2=O)C(C)C)cc1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C)C(C)C.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)NS(=O)(=O)c1ccc(CC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCOCCOCCOCCN2C(=O)CC(SC)C2=O)C(C)C)cc1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C)C(C)C.

What is the InChIKey of bis((2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-3-methyl-2-[3-[2-[2-[2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]propanoylamino]butanoyl]amino]-2-oxohexyl]phenyl]sulfonylamino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide);(2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-6-[2-[2-[2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]-4-oxo-2-propan-2-ylhexanoyl]amino]-2-oxohexyl]phenyl]sulfonylamino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide?

The InChIKey is UAOUJUFYIUZIGQ-RPAOTSQTSA-N. The full InChI is InChI=1S/C65H108N8O17S2.2C64H107N9O17S2/c1-16-43(8)59(71(12)63(81)49(41(4)5)37-53(76)58(42(6)7)70(10)11)54(86-13)38-56(77)72-27-18-20-51(72)60(87-14)44(9)61(79)69-92(84,85)47-23-21-45(22-24-47)35-52(75)50(19-17-26-67-65(66)83)68-62(80)48(40(2)3)36-46(74)25-29-88-31-33-90-34-32-89-30-28-73-57(78)39-55(91-15)64(73)82;2*1-16-42(8)58(71(12)62(81)46(39(2)3)36-50(75)57(41(6)7)70(10)11)51(86-13)37-54(77)72-27-18-20-48(72)59(87-14)43(9)60(79)69-92(84,85)45-23-21-44(22-24-45)35-49(74)47(19-17-26-66-64(65)83)67-61(80)56(40(4)5)68-53(76)25-29-88-31-33-90-34-32-89-30-28-73-55(78)38-52(91-15)63(73)82/h21-24,40-44,48-51,54-55,58-60H,16-20,25-39H2,1-15H3,(H,68,80)(H,69,79)(H3,66,67,83);2*21-24,39-43,46-48,51-52,56-59H,16-20,25-38H2,1-15H3,(H,67,80)(H,68,76)(H,69,79)(H3,65,66,83)/t43-,44+,48-,49-,50-,51-,54+,55?,58-,59-,60+;2*42-,43+,46-,47-,48-,51+,52?,56-,57-,58-,59+/m000/s1.

What are the key properties of bis((2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-3-methyl-2-[3-[2-[2-[2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]propanoylamino]butanoyl]amino]-2-oxohexyl]phenyl]sulfonylamino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide);(2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-6-[2-[2-[2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]-4-oxo-2-propan-2-ylhexanoyl]amino]-2-oxohexyl]phenyl]sulfonylamino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide?

bis((2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-3-methyl-2-[3-[2-[2-[2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]propanoylamino]butanoyl]amino]-2-oxohexyl]phenyl]sulfonylamino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide);(2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-6-[2-[2-[2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]-4-oxo-2-propan-2-ylhexanoyl]amino]-2-oxohexyl]phenyl]sulfonylamino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide has a molecular weight of 4015.23 g/mol, XLogP of 11.13, 133 rotatable bonds, 14 hydrogen bond donors, and 57 hydrogen bond acceptors.

Where does this data come from?

All data for bis((2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-3-methyl-2-[3-[2-[2-[2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]propanoylamino]butanoyl]amino]-2-oxohexyl]phenyl]sulfonylamino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide);(2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-6-[2-[2-[2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]-4-oxo-2-propan-2-ylhexanoyl]amino]-2-oxohexyl]phenyl]sulfonylamino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide is sourced from PubChem (CID 161038583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).