(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(2R,3R,6R)-6-[(3-aminophenyl)methyl]-7-hydroxy-3-methyl-4-oxoheptan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;tert-butyl 4-[N'-[(2S)-1-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N,N-dimethylcarbamimidoyl]piperazine-1-carboxylate;bis((2S)-2-[[dimethylamino(piperazin-1-yl)methylidene]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide);(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6S)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;methyl (2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[dimethylamino-[methyl-[2-(methylamino)ethyl]amino]methylidene]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[dimethylamino-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]methylidene]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoate

C330H551N43O49 — CID 161326317

About (2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(2R,3R,6R)-6-[(3-aminophenyl)methyl]-7-hydroxy-3-methyl-4-oxoheptan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;tert-butyl 4-[N'-[(2S)-1-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N,N-dimethylcarbamimidoyl]piperazine-1-carboxylate;bis((2S)-2-[[dimethylamino(piperazin-1-yl)methylidene]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide);(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6S)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;methyl (2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[dimethylamino-[methyl-[2-(methylamino)ethyl]amino]methylidene]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[dimethylamino-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]methylidene]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoate

(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(2R,3R,6R)-6-[(3-aminophenyl)methyl]-7-hydroxy-3-methyl-4-oxoheptan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;tert-butyl 4-[N'-[(2S)-1-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N,N-dimethylcarbamimidoyl]piperazine-1-carboxylate;bis((2S)-2-[[dimethylamino(piperazin-1-yl)methylidene]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide);(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6S)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;methyl (2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[dimethylamino-[methyl-[2-(methylamino)ethyl]amino]methylidene]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[dimethylamino-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]methylidene]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoate (PubChem CID 161326317) has the molecular formula C330H551N43O49 and a molecular weight of 5905.29 g/mol. Its IUPAC name is (2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(2R,3R,6R)-6-[(3-aminophenyl)methyl]-7-hydroxy-3-methyl-4-oxoheptan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;tert-butyl 4-[N'-[(2S)-1-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N,N-dimethylcarbamimidoyl]piperazine-1-carboxylate;bis((2S)-2-[[dimethylamino(piperazin-1-yl)methylidene]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide);(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6S)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;methyl (2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[dimethylamino-[methyl-[2-(methylamino)ethyl]amino]methylidene]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[dimethylamino-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]methylidene]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoate.

Molecular Properties

• Compound Name: (2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(2R,3R,6R)-6-[(3-aminophenyl)methyl]-7-hydroxy-3-methyl-4-oxoheptan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;tert-butyl 4-[N'-[(2S)-1-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N,N-dimethylcarbamimidoyl]piperazine-1-carboxylate;bis((2S)-2-[[dimethylamino(piperazin-1-yl)methylidene]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide);(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6S)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;methyl (2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[dimethylamino-[methyl-[2-(methylamino)ethyl]amino]methylidene]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[dimethylamino-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]methylidene]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoate
• PubChem CID: 161326317
• Molecular Formula: C330H551N43O49
• Molecular Weight: 5905.29 g/mol
• Exact Mass: 5901.19
• IUPAC Name: (2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(2R,3R,6R)-6-[(3-aminophenyl)methyl]-7-hydroxy-3-methyl-4-oxoheptan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;tert-butyl 4-[N'-[(2S)-1-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N,N-dimethylcarbamimidoyl]piperazine-1-carboxylate;bis((2S)-2-[[dimethylamino(piperazin-1-yl)methylidene]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide);(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6S)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;methyl (2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[dimethylamino-[methyl-[2-(methylamino)ethyl]amino]methylidene]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[dimethylamino-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]methylidene]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoate
• SMILES: CCC(C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@H](CC)Cc1ccccc1)OC)N(C)C(=O)C(Cc1ncccn1)C(C)C.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](C)[C@@H](C)C(=O)C[C@H](CO)Cc1cccc(N)c1)OC)N(C)C(=O)[C@@H](Cc1ncccn1)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)C[C@@H](Cc1ccccc1)C(=O)OC)OC)N(C)C(=O)[C@@H](/N=C(\N(C)C)N(C)CCN(C)C(=O)OC(C)(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)C[C@@H](Cc1ccccc1)C(=O)OC)OC)N(C)C(=O)[C@@H](/N=C(\N(C)C)N(C)CCNC)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)C[C@H](C)Cc1ccccc1)OC)N(C)C(=O)[C@@H](/N=C(\N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1)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)C[C@H](C)Cc1ccccc1)OC)N(C)C(=O)[C@@H](/N=C(\N(C)C)N1CCNCC1)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)C[C@H](C)Cc1ccccc1)OC)N(C)C(=O)[C@@H](/N=C(\N(C)C)N1CCNCC1)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)C[C@H](C)[C@H](C)O)OC)N(C)C(=O)[C@@H](Cc1ncccn1)C(C)C
• InChI: InChI=1S/C47H80N6O9.C46H78N6O7.C42H72N6O7.2C41H70N6O5.C40H62N4O5.C39H61N5O5.C34H58N4O6/c1-17-32(4)41(52(13)43(56)40(31(2)3)48-45(49(9)10)50(11)26-27-51(12)46(58)62-47(6,7)8)38(59-14)30-39(55)53-25-21-24-36(53)42(60-15)33(5)37(54)29-35(44(57)61-16)28-34-22-19-18-20-23-34;1-15-33(5)41(49(12)43(55)40(31(2)3)47-44(48(10)11)50-24-26-51(27-25-50)45(56)59-46(7,8)9)38(57-13)30-39(54)52-23-19-22-36(52)42(58-14)34(6)37(53)29-32(4)28-35-20-17-16-18-21-35;1-14-29(4)38(47(10)40(51)37(28(2)3)44-42(45(7)8)46(9)24-22-43-6)35(53-11)27-36(50)48-23-18-21-33(48)39(54-12)30(5)34(49)26-32(41(52)55-13)25-31-19-16-15-17-20-31;2*1-12-30(5)38(45(9)40(50)37(28(2)3)43-41(44(7)8)46-23-20-42-21-24-46)35(51-10)27-36(49)47-22-16-19-33(47)39(52-11)31(6)34(48)26-29(4)25-32-17-14-13-15-18-32;1-10-28(5)38(43(7)40(47)32(27(3)4)25-36-41-20-16-21-42-36)35(48-8)26-37(46)44-22-15-19-33(44)39(49-9)29(6)34(45)24-30(11-2)23-31-17-13-12-14-18-31;1-9-26(4)38(43(7)39(48)32(25(2)3)22-36-41-16-12-17-42-36)35(49-8)23-37(47)44-18-11-15-33(44)27(5)28(6)34(46)21-30(24-45)19-29-13-10-14-31(40)20-29;1-11-22(4)32(37(8)34(42)26(21(2)3)19-30-35-15-13-16-36-30)29(43-9)20-31(41)38-17-12-14-27(38)33(44-10)24(6)28(40)18-23(5)25(7)39/h18-20,22-23,31-33,35-36,38,40-42H,17,21,24-30H2,1-16H3;16-18,20-21,31-34,36,38,40-42H,15,19,22-30H2,1-14H3;15-17,19-20,28-30,32-33,35,37-39,43H,14,18,21-27H2,1-13H3;2*13-15,17-18,28-31,33,35,37-39,42H,12,16,19-27H2,1-11H3;12-14,16-18,20-21,27-30,32-33,35,38-39H,10-11,15,19,22-26H2,1-9H3;10,12-14,16-17,20,25-28,30,32-33,35,38,45H,9,11,15,18-19,21-24,40H2,1-8H3;13,15-16,21-27,29,32-33,39H,11-12,14,17-20H2,1-10H3/b48-45+;47-44+;44-42+;2*43-41+;;;/t32-,33-,35+,36-,38+,40-,41-,42+;32-,33+,34+,36+,38-,40+,41+,42-;29-,30-,32+,33-,35+,37-,38-,39+;2*29-,30+,31+,33+,35-,37+,38+,39-;28?,29-,30+,32?,33-,35+,38-,39+;26-,27+,28+,30+,32-,33-,35+,38-;22-,23-,24-,25-,26-,27-,29+,32-,33+/m01011000/s1
• InChIKey: VKUWANRXRVXPMI-GLXKKWDUSA-N
• XLogP: 40.91
• TPSA: 985.76 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 64
• Rotatable Bonds: 155
• Heavy Atoms: 422
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5905.29
LogP ≤ 5	40.91
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	64

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(2R,3R,6R)-6-[(3-aminophenyl)methyl]-7-hydroxy-3-methyl-4-oxoheptan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;tert-butyl 4-[N'-[(2S)-1-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N,N-dimethylcarbamimidoyl]piperazine-1-carboxylate;bis((2S)-2-[[dimethylamino(piperazin-1-yl)methylidene]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide);(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6S)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;methyl (2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[dimethylamino-[methyl-[2-(methylamino)ethyl]amino]methylidene]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[dimethylamino-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]methylidene]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoate?

The IUPAC name of (2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(2R,3R,6R)-6-[(3-aminophenyl)methyl]-7-hydroxy-3-methyl-4-oxoheptan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;tert-butyl 4-[N'-[(2S)-1-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N,N-dimethylcarbamimidoyl]piperazine-1-carboxylate;bis((2S)-2-[[dimethylamino(piperazin-1-yl)methylidene]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide);(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6S)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;methyl (2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[dimethylamino-[methyl-[2-(methylamino)ethyl]amino]methylidene]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[dimethylamino-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]methylidene]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoate (CID 161326317) is (2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(2R,3R,6R)-6-[(3-aminophenyl)methyl]-7-hydroxy-3-methyl-4-oxoheptan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;tert-butyl 4-[N'-[(2S)-1-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N,N-dimethylcarbamimidoyl]piperazine-1-carboxylate;bis((2S)-2-[[dimethylamino(piperazin-1-yl)methylidene]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide);(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6S)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;methyl (2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[dimethylamino-[methyl-[2-(methylamino)ethyl]amino]methylidene]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[dimethylamino-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]methylidene]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoate.

What is the SMILES notation for (2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(2R,3R,6R)-6-[(3-aminophenyl)methyl]-7-hydroxy-3-methyl-4-oxoheptan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;tert-butyl 4-[N'-[(2S)-1-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N,N-dimethylcarbamimidoyl]piperazine-1-carboxylate;bis((2S)-2-[[dimethylamino(piperazin-1-yl)methylidene]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide);(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6S)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;methyl (2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[dimethylamino-[methyl-[2-(methylamino)ethyl]amino]methylidene]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[dimethylamino-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]methylidene]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoate?

The canonical SMILES for (2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(2R,3R,6R)-6-[(3-aminophenyl)methyl]-7-hydroxy-3-methyl-4-oxoheptan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;tert-butyl 4-[N'-[(2S)-1-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N,N-dimethylcarbamimidoyl]piperazine-1-carboxylate;bis((2S)-2-[[dimethylamino(piperazin-1-yl)methylidene]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide);(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6S)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;methyl (2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[dimethylamino-[methyl-[2-(methylamino)ethyl]amino]methylidene]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[dimethylamino-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]methylidene]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoate is CCC(C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@H](CC)Cc1ccccc1)OC)N(C)C(=O)C(Cc1ncccn1)C(C)C.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](C)[C@@H](C)C(=O)C[C@H](CO)Cc1cccc(N)c1)OC)N(C)C(=O)[C@@H](Cc1ncccn1)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)C[C@@H](Cc1ccccc1)C(=O)OC)OC)N(C)C(=O)[C@@H](/N=C(\N(C)C)N(C)CCN(C)C(=O)OC(C)(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)C[C@@H](Cc1ccccc1)C(=O)OC)OC)N(C)C(=O)[C@@H](/N=C(\N(C)C)N(C)CCNC)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)C[C@H](C)Cc1ccccc1)OC)N(C)C(=O)[C@@H](/N=C(\N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1)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)C[C@H](C)Cc1ccccc1)OC)N(C)C(=O)[C@@H](/N=C(\N(C)C)N1CCNCC1)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)C[C@H](C)Cc1ccccc1)OC)N(C)C(=O)[C@@H](/N=C(\N(C)C)N1CCNCC1)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)C[C@H](C)[C@H](C)O)OC)N(C)C(=O)[C@@H](Cc1ncccn1)C(C)C.

What is the InChIKey of (2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(2R,3R,6R)-6-[(3-aminophenyl)methyl]-7-hydroxy-3-methyl-4-oxoheptan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;tert-butyl 4-[N'-[(2S)-1-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N,N-dimethylcarbamimidoyl]piperazine-1-carboxylate;bis((2S)-2-[[dimethylamino(piperazin-1-yl)methylidene]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide);(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6S)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;methyl (2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[dimethylamino-[methyl-[2-(methylamino)ethyl]amino]methylidene]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[dimethylamino-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]methylidene]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoate?

The InChIKey is VKUWANRXRVXPMI-GLXKKWDUSA-N. The full InChI is InChI=1S/C47H80N6O9.C46H78N6O7.C42H72N6O7.2C41H70N6O5.C40H62N4O5.C39H61N5O5.C34H58N4O6/c1-17-32(4)41(52(13)43(56)40(31(2)3)48-45(49(9)10)50(11)26-27-51(12)46(58)62-47(6,7)8)38(59-14)30-39(55)53-25-21-24-36(53)42(60-15)33(5)37(54)29-35(44(57)61-16)28-34-22-19-18-20-23-34;1-15-33(5)41(49(12)43(55)40(31(2)3)47-44(48(10)11)50-24-26-51(27-25-50)45(56)59-46(7,8)9)38(57-13)30-39(54)52-23-19-22-36(52)42(58-14)34(6)37(53)29-32(4)28-35-20-17-16-18-21-35;1-14-29(4)38(47(10)40(51)37(28(2)3)44-42(45(7)8)46(9)24-22-43-6)35(53-11)27-36(50)48-23-18-21-33(48)39(54-12)30(5)34(49)26-32(41(52)55-13)25-31-19-16-15-17-20-31;2*1-12-30(5)38(45(9)40(50)37(28(2)3)43-41(44(7)8)46-23-20-42-21-24-46)35(51-10)27-36(49)47-22-16-19-33(47)39(52-11)31(6)34(48)26-29(4)25-32-17-14-13-15-18-32;1-10-28(5)38(43(7)40(47)32(27(3)4)25-36-41-20-16-21-42-36)35(48-8)26-37(46)44-22-15-19-33(44)39(49-9)29(6)34(45)24-30(11-2)23-31-17-13-12-14-18-31;1-9-26(4)38(43(7)39(48)32(25(2)3)22-36-41-16-12-17-42-36)35(49-8)23-37(47)44-18-11-15-33(44)27(5)28(6)34(46)21-30(24-45)19-29-13-10-14-31(40)20-29;1-11-22(4)32(37(8)34(42)26(21(2)3)19-30-35-15-13-16-36-30)29(43-9)20-31(41)38-17-12-14-27(38)33(44-10)24(6)28(40)18-23(5)25(7)39/h18-20,22-23,31-33,35-36,38,40-42H,17,21,24-30H2,1-16H3;16-18,20-21,31-34,36,38,40-42H,15,19,22-30H2,1-14H3;15-17,19-20,28-30,32-33,35,37-39,43H,14,18,21-27H2,1-13H3;2*13-15,17-18,28-31,33,35,37-39,42H,12,16,19-27H2,1-11H3;12-14,16-18,20-21,27-30,32-33,35,38-39H,10-11,15,19,22-26H2,1-9H3;10,12-14,16-17,20,25-28,30,32-33,35,38,45H,9,11,15,18-19,21-24,40H2,1-8H3;13,15-16,21-27,29,32-33,39H,11-12,14,17-20H2,1-10H3/b48-45+;47-44+;44-42+;2*43-41+;;;/t32-,33-,35+,36-,38+,40-,41-,42+;32-,33+,34+,36+,38-,40+,41+,42-;29-,30-,32+,33-,35+,37-,38-,39+;2*29-,30+,31+,33+,35-,37+,38+,39-;28?,29-,30+,32?,33-,35+,38-,39+;26-,27+,28+,30+,32-,33-,35+,38-;22-,23-,24-,25-,26-,27-,29+,32-,33+/m01011000/s1.

What are the key properties of (2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(2R,3R,6R)-6-[(3-aminophenyl)methyl]-7-hydroxy-3-methyl-4-oxoheptan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;tert-butyl 4-[N'-[(2S)-1-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N,N-dimethylcarbamimidoyl]piperazine-1-carboxylate;bis((2S)-2-[[dimethylamino(piperazin-1-yl)methylidene]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide);(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6S)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;methyl (2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[dimethylamino-[methyl-[2-(methylamino)ethyl]amino]methylidene]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[dimethylamino-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]methylidene]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoate?

(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(2R,3R,6R)-6-[(3-aminophenyl)methyl]-7-hydroxy-3-methyl-4-oxoheptan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;tert-butyl 4-[N'-[(2S)-1-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N,N-dimethylcarbamimidoyl]piperazine-1-carboxylate;bis((2S)-2-[[dimethylamino(piperazin-1-yl)methylidene]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide);(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6S)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;methyl (2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[dimethylamino-[methyl-[2-(methylamino)ethyl]amino]methylidene]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[dimethylamino-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]methylidene]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoate has a molecular weight of 5905.29 g/mol, XLogP of 40.91, 155 rotatable bonds, 6 hydrogen bond donors, and 64 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(2R,3R,6R)-6-[(3-aminophenyl)methyl]-7-hydroxy-3-methyl-4-oxoheptan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;tert-butyl 4-[N'-[(2S)-1-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N,N-dimethylcarbamimidoyl]piperazine-1-carboxylate;bis((2S)-2-[[dimethylamino(piperazin-1-yl)methylidene]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide);(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6S)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;methyl (2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[dimethylamino-[methyl-[2-(methylamino)ethyl]amino]methylidene]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[dimethylamino-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]methylidene]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoate is sourced from PubChem (CID 161326317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).