(2R,5S)-N-[4-[[[(2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]methyl]phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-5-[[2-[2-[2-[2-(2-methyl-4-propanoylpiperidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]-4-oxoheptanamide;(2,3,4,5,6-pentafluorophenyl) 1-[2-[2-[2-[2-[[(3S,6R)-6-[[4-[[[(2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]methyl]phenyl]carbamoyl]-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]-2-methylpiperidine-4-carboxylate

C160H245F5N18O33 — CID 161294740

About (2R,5S)-N-[4-[[[(2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]methyl]phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-5-[[2-[2-[2-[2-(2-methyl-4-propanoylpiperidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]-4-oxoheptanamide;(2,3,4,5,6-pentafluorophenyl) 1-[2-[2-[2-[2-[[(3S,6R)-6-[[4-[[[(2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]methyl]phenyl]carbamoyl]-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]-2-methylpiperidine-4-carboxylate

(2R,5S)-N-[4-[[[(2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]methyl]phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-5-[[2-[2-[2-[2-(2-methyl-4-propanoylpiperidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]-4-oxoheptanamide;(2,3,4,5,6-pentafluorophenyl) 1-[2-[2-[2-[2-[[(3S,6R)-6-[[4-[[[(2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]methyl]phenyl]carbamoyl]-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]-2-methylpiperidine-4-carboxylate (PubChem CID 161294740) has the molecular formula C160H245F5N18O33 and a molecular weight of 3043.80 g/mol. Its IUPAC name is (2R,5S)-N-[4-[[[(2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]methyl]phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-5-[[2-[2-[2-[2-(2-methyl-4-propanoylpiperidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]-4-oxoheptanamide;(2,3,4,5,6-pentafluorophenyl) 1-[2-[2-[2-[2-[[(3S,6R)-6-[[4-[[[(2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]methyl]phenyl]carbamoyl]-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]-2-methylpiperidine-4-carboxylate.

Molecular Properties

• Compound Name: (2R,5S)-N-[4-[[[(2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]methyl]phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-5-[[2-[2-[2-[2-(2-methyl-4-propanoylpiperidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]-4-oxoheptanamide;(2,3,4,5,6-pentafluorophenyl) 1-[2-[2-[2-[2-[[(3S,6R)-6-[[4-[[[(2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]methyl]phenyl]carbamoyl]-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]-2-methylpiperidine-4-carboxylate
• PubChem CID: 161294740
• Molecular Formula: C160H245F5N18O33
• Molecular Weight: 3043.80 g/mol
• Exact Mass: 3041.80
• IUPAC Name: (2R,5S)-N-[4-[[[(2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]methyl]phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-5-[[2-[2-[2-[2-(2-methyl-4-propanoylpiperidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]-4-oxoheptanamide;(2,3,4,5,6-pentafluorophenyl) 1-[2-[2-[2-[2-[[(3S,6R)-6-[[4-[[[(2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]methyl]phenyl]carbamoyl]-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]-2-methylpiperidine-4-carboxylate
• SMILES: CCC(=O)C1CCN(C(=O)COCCOCCOCC(=O)N[C@H](C(=O)C[C@@H](CCCNC(N)=O)C(=O)Nc2ccc(CNC(=O)[C@@H](CC(=O)[C@H](C)[C@@H](OC)[C@@H]3CCCN3C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C)C(C)C)Cc3ccccc3)cc2)C(C)C)C(C)C1.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@@H](Cc1ccccc1)C(=O)NCc1ccc(NC(=O)[C@H](CCCNC(N)=O)CC(=O)[C@@H](NC(=O)COCCOCCOCC(=O)N2CCC(C(=O)Oc3c(F)c(F)c(F)c(F)c3F)CC2C)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/C82H120F5N9O17.C78H125N9O16/c1-16-50(8)75(94(13)80(105)59(47(2)3)42-63(99)74(49(6)7)93(11)12)64(108-14)43-66(101)96-32-21-25-60(96)76(109-15)52(10)61(97)41-57(39-53-22-18-17-19-23-53)78(103)90-44-54-26-28-58(29-27-54)91-79(104)55(24-20-31-89-82(88)107)40-62(98)73(48(4)5)92-65(100)45-111-36-34-110-35-37-112-46-67(102)95-33-30-56(38-51(95)9)81(106)113-77-71(86)69(84)68(83)70(85)72(77)87;1-17-52(9)73(85(14)77(97)61(49(3)4)44-66(91)72(51(7)8)84(12)13)67(99-15)45-69(93)87-34-23-27-62(87)74(100-16)54(11)64(89)43-59(41-55-24-20-19-21-25-55)75(95)81-46-56-28-30-60(31-29-56)82-76(96)58(26-22-33-80-78(79)98)42-65(90)71(50(5)6)83-68(92)47-102-38-36-101-37-39-103-48-70(94)86-35-32-57(40-53(86)10)63(88)18-2/h17-19,22-23,26-29,47-52,55-57,59-60,64,73-76H,16,20-21,24-25,30-46H2,1-15H3,(H,90,103)(H,91,104)(H,92,100)(H3,88,89,107);19-21,24-25,28-31,49-54,57-59,61-62,67,71-74H,17-18,22-23,26-27,32-48H2,1-16H3,(H,81,95)(H,82,96)(H,83,92)(H3,79,80,98)/t50-,51?,52-,55+,56?,57+,59-,60-,64+,73-,74-,75-,76+;52-,53?,54-,57?,58+,59+,61-,62-,67+,71-,72-,73-,74+/m00/s1
• InChIKey: VGVBCAULODWIBC-MRIJPYGGSA-N
• XLogP: 16.56
• TPSA: 651.27 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 35
• Rotatable Bonds: 96
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3043.80
LogP ≤ 5	16.56
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-N-[4-[[[(2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]methyl]phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-5-[[2-[2-[2-[2-(2-methyl-4-propanoylpiperidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]-4-oxoheptanamide;(2,3,4,5,6-pentafluorophenyl) 1-[2-[2-[2-[2-[[(3S,6R)-6-[[4-[[[(2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]methyl]phenyl]carbamoyl]-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]-2-methylpiperidine-4-carboxylate?

The IUPAC name of (2R,5S)-N-[4-[[[(2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]methyl]phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-5-[[2-[2-[2-[2-(2-methyl-4-propanoylpiperidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]-4-oxoheptanamide;(2,3,4,5,6-pentafluorophenyl) 1-[2-[2-[2-[2-[[(3S,6R)-6-[[4-[[[(2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]methyl]phenyl]carbamoyl]-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]-2-methylpiperidine-4-carboxylate (CID 161294740) is (2R,5S)-N-[4-[[[(2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]methyl]phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-5-[[2-[2-[2-[2-(2-methyl-4-propanoylpiperidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]-4-oxoheptanamide;(2,3,4,5,6-pentafluorophenyl) 1-[2-[2-[2-[2-[[(3S,6R)-6-[[4-[[[(2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]methyl]phenyl]carbamoyl]-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]-2-methylpiperidine-4-carboxylate.

What is the SMILES notation for (2R,5S)-N-[4-[[[(2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]methyl]phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-5-[[2-[2-[2-[2-(2-methyl-4-propanoylpiperidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]-4-oxoheptanamide;(2,3,4,5,6-pentafluorophenyl) 1-[2-[2-[2-[2-[[(3S,6R)-6-[[4-[[[(2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]methyl]phenyl]carbamoyl]-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]-2-methylpiperidine-4-carboxylate?

The canonical SMILES for (2R,5S)-N-[4-[[[(2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]methyl]phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-5-[[2-[2-[2-[2-(2-methyl-4-propanoylpiperidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]-4-oxoheptanamide;(2,3,4,5,6-pentafluorophenyl) 1-[2-[2-[2-[2-[[(3S,6R)-6-[[4-[[[(2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]methyl]phenyl]carbamoyl]-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]-2-methylpiperidine-4-carboxylate is CCC(=O)C1CCN(C(=O)COCCOCCOCC(=O)N[C@H](C(=O)C[C@@H](CCCNC(N)=O)C(=O)Nc2ccc(CNC(=O)[C@@H](CC(=O)[C@H](C)[C@@H](OC)[C@@H]3CCCN3C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C)C(C)C)Cc3ccccc3)cc2)C(C)C)C(C)C1.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@@H](Cc1ccccc1)C(=O)NCc1ccc(NC(=O)[C@H](CCCNC(N)=O)CC(=O)[C@@H](NC(=O)COCCOCCOCC(=O)N2CCC(C(=O)Oc3c(F)c(F)c(F)c(F)c3F)CC2C)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 (2R,5S)-N-[4-[[[(2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]methyl]phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-5-[[2-[2-[2-[2-(2-methyl-4-propanoylpiperidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]-4-oxoheptanamide;(2,3,4,5,6-pentafluorophenyl) 1-[2-[2-[2-[2-[[(3S,6R)-6-[[4-[[[(2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]methyl]phenyl]carbamoyl]-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]-2-methylpiperidine-4-carboxylate?

The InChIKey is VGVBCAULODWIBC-MRIJPYGGSA-N. The full InChI is InChI=1S/C82H120F5N9O17.C78H125N9O16/c1-16-50(8)75(94(13)80(105)59(47(2)3)42-63(99)74(49(6)7)93(11)12)64(108-14)43-66(101)96-32-21-25-60(96)76(109-15)52(10)61(97)41-57(39-53-22-18-17-19-23-53)78(103)90-44-54-26-28-58(29-27-54)91-79(104)55(24-20-31-89-82(88)107)40-62(98)73(48(4)5)92-65(100)45-111-36-34-110-35-37-112-46-67(102)95-33-30-56(38-51(95)9)81(106)113-77-71(86)69(84)68(83)70(85)72(77)87;1-17-52(9)73(85(14)77(97)61(49(3)4)44-66(91)72(51(7)8)84(12)13)67(99-15)45-69(93)87-34-23-27-62(87)74(100-16)54(11)64(89)43-59(41-55-24-20-19-21-25-55)75(95)81-46-56-28-30-60(31-29-56)82-76(96)58(26-22-33-80-78(79)98)42-65(90)71(50(5)6)83-68(92)47-102-38-36-101-37-39-103-48-70(94)86-35-32-57(40-53(86)10)63(88)18-2/h17-19,22-23,26-29,47-52,55-57,59-60,64,73-76H,16,20-21,24-25,30-46H2,1-15H3,(H,90,103)(H,91,104)(H,92,100)(H3,88,89,107);19-21,24-25,28-31,49-54,57-59,61-62,67,71-74H,17-18,22-23,26-27,32-48H2,1-16H3,(H,81,95)(H,82,96)(H,83,92)(H3,79,80,98)/t50-,51?,52-,55+,56?,57+,59-,60-,64+,73-,74-,75-,76+;52-,53?,54-,57?,58+,59+,61-,62-,67+,71-,72-,73-,74+/m00/s1.

What are the key properties of (2R,5S)-N-[4-[[[(2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]methyl]phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-5-[[2-[2-[2-[2-(2-methyl-4-propanoylpiperidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]-4-oxoheptanamide;(2,3,4,5,6-pentafluorophenyl) 1-[2-[2-[2-[2-[[(3S,6R)-6-[[4-[[[(2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]methyl]phenyl]carbamoyl]-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]-2-methylpiperidine-4-carboxylate?

(2R,5S)-N-[4-[[[(2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]methyl]phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-5-[[2-[2-[2-[2-(2-methyl-4-propanoylpiperidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]-4-oxoheptanamide;(2,3,4,5,6-pentafluorophenyl) 1-[2-[2-[2-[2-[[(3S,6R)-6-[[4-[[[(2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]methyl]phenyl]carbamoyl]-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]-2-methylpiperidine-4-carboxylate has a molecular weight of 3043.80 g/mol, XLogP of 16.56, 96 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,5S)-N-[4-[[[(2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]methyl]phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-5-[[2-[2-[2-[2-(2-methyl-4-propanoylpiperidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]-4-oxoheptanamide;(2,3,4,5,6-pentafluorophenyl) 1-[2-[2-[2-[2-[[(3S,6R)-6-[[4-[[[(2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]methyl]phenyl]carbamoyl]-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]-2-methylpiperidine-4-carboxylate is sourced from PubChem (CID 161294740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).