dimethyl (8S,11S,14S,17S,28S,31S,34S,37R)-10,30-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-14,34-bis(naphthalen-2-ylmethyl)-12,15,32,35-tetraoxo-2,22-dioxa-5,6,7,10,13,16,25,26,27,30,33-undecazaheptacyclo[37.2.2.218,21.14,7.18,11.124,27.128,31]nonatetraconta-1(42),4(49),5,18,20,24(45),25,39(43),40,46-decaene-17,37-dicarboxylate;methyl (2R)-4-[(2S,4S)-4-[4-[[4-[(2S)-2-[[4-[(2S,4S)-4-[4-[[4-[(1S)-1-amino-2-methoxy-2-oxoethyl]phenoxy]methyl]triazol-1-yl]-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-2-(naphthalen-2-ylmethyl)-4-oxobutanoyl]amino]-3-methoxy-3-oxopropyl]phenoxy]methyl]triazol-1-yl]-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-2-(naphthalen-2-ylmethyl)-4-oxobutanoate

C186H235N29O37 — CID 157176190

About dimethyl (8S,11S,14S,17S,28S,31S,34S,37R)-10,30-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-14,34-bis(naphthalen-2-ylmethyl)-12,15,32,35-tetraoxo-2,22-dioxa-5,6,7,10,13,16,25,26,27,30,33-undecazaheptacyclo[37.2.2.218,21.14,7.18,11.124,27.128,31]nonatetraconta-1(42),4(49),5,18,20,24(45),25,39(43),40,46-decaene-17,37-dicarboxylate;methyl (2R)-4-[(2S,4S)-4-[4-[[4-[(2S)-2-[[4-[(2S,4S)-4-[4-[[4-[(1S)-1-amino-2-methoxy-2-oxoethyl]phenoxy]methyl]triazol-1-yl]-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-2-(naphthalen-2-ylmethyl)-4-oxobutanoyl]amino]-3-methoxy-3-oxopropyl]phenoxy]methyl]triazol-1-yl]-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-2-(naphthalen-2-ylmethyl)-4-oxobutanoate

dimethyl (8S,11S,14S,17S,28S,31S,34S,37R)-10,30-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-14,34-bis(naphthalen-2-ylmethyl)-12,15,32,35-tetraoxo-2,22-dioxa-5,6,7,10,13,16,25,26,27,30,33-undecazaheptacyclo[37.2.2.218,21.14,7.18,11.124,27.128,31]nonatetraconta-1(42),4(49),5,18,20,24(45),25,39(43),40,46-decaene-17,37-dicarboxylate;methyl (2R)-4-[(2S,4S)-4-[4-[[4-[(2S)-2-[[4-[(2S,4S)-4-[4-[[4-[(1S)-1-amino-2-methoxy-2-oxoethyl]phenoxy]methyl]triazol-1-yl]-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-2-(naphthalen-2-ylmethyl)-4-oxobutanoyl]amino]-3-methoxy-3-oxopropyl]phenoxy]methyl]triazol-1-yl]-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-2-(naphthalen-2-ylmethyl)-4-oxobutanoate (PubChem CID 157176190) has the molecular formula C186H235N29O37 and a molecular weight of 3469.09 g/mol. Its IUPAC name is dimethyl (8S,11S,14S,17S,28S,31S,34S,37R)-10,30-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-14,34-bis(naphthalen-2-ylmethyl)-12,15,32,35-tetraoxo-2,22-dioxa-5,6,7,10,13,16,25,26,27,30,33-undecazaheptacyclo[37.2.2.218,21.14,7.18,11.124,27.128,31]nonatetraconta-1(42),4(49),5,18,20,24(45),25,39(43),40,46-decaene-17,37-dicarboxylate;methyl (2R)-4-[(2S,4S)-4-[4-[[4-[(2S)-2-[[4-[(2S,4S)-4-[4-[[4-[(1S)-1-amino-2-methoxy-2-oxoethyl]phenoxy]methyl]triazol-1-yl]-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-2-(naphthalen-2-ylmethyl)-4-oxobutanoyl]amino]-3-methoxy-3-oxopropyl]phenoxy]methyl]triazol-1-yl]-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-2-(naphthalen-2-ylmethyl)-4-oxobutanoate.

Molecular Properties

• Compound Name: dimethyl (8S,11S,14S,17S,28S,31S,34S,37R)-10,30-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-14,34-bis(naphthalen-2-ylmethyl)-12,15,32,35-tetraoxo-2,22-dioxa-5,6,7,10,13,16,25,26,27,30,33-undecazaheptacyclo[37.2.2.218,21.14,7.18,11.124,27.128,31]nonatetraconta-1(42),4(49),5,18,20,24(45),25,39(43),40,46-decaene-17,37-dicarboxylate;methyl (2R)-4-[(2S,4S)-4-[4-[[4-[(2S)-2-[[4-[(2S,4S)-4-[4-[[4-[(1S)-1-amino-2-methoxy-2-oxoethyl]phenoxy]methyl]triazol-1-yl]-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-2-(naphthalen-2-ylmethyl)-4-oxobutanoyl]amino]-3-methoxy-3-oxopropyl]phenoxy]methyl]triazol-1-yl]-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-2-(naphthalen-2-ylmethyl)-4-oxobutanoate
• PubChem CID: 157176190
• Molecular Formula: C186H235N29O37
• Molecular Weight: 3469.09 g/mol
• Exact Mass: 3466.74
• IUPAC Name: dimethyl (8S,11S,14S,17S,28S,31S,34S,37R)-10,30-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-14,34-bis(naphthalen-2-ylmethyl)-12,15,32,35-tetraoxo-2,22-dioxa-5,6,7,10,13,16,25,26,27,30,33-undecazaheptacyclo[37.2.2.218,21.14,7.18,11.124,27.128,31]nonatetraconta-1(42),4(49),5,18,20,24(45),25,39(43),40,46-decaene-17,37-dicarboxylate;methyl (2R)-4-[(2S,4S)-4-[4-[[4-[(2S)-2-[[4-[(2S,4S)-4-[4-[[4-[(1S)-1-amino-2-methoxy-2-oxoethyl]phenoxy]methyl]triazol-1-yl]-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-2-(naphthalen-2-ylmethyl)-4-oxobutanoyl]amino]-3-methoxy-3-oxopropyl]phenoxy]methyl]triazol-1-yl]-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-2-(naphthalen-2-ylmethyl)-4-oxobutanoate
• SMILES: COC(=O)[C@@H](CC(=O)[C@@H]1C[C@H](n2cc(COc3ccc(C[C@H](NC(=O)C(CC(=O)[C@@H]4C[C@H](n5cc(COc6ccc([C@H](N)C(=O)OC)cc6)nn5)CN4C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(C)(C)C)Cc4ccc5ccccc5c4)C(=O)OC)cc3)nn2)CN1C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(C)(C)C)Cc1ccc2ccccc2c1.COC(=O)[C@H]1CC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@@H](CN2C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(C)(C)C)n2cc(nn2)COc2ccc(cc2)[C@@H](C(=O)OC)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@@H](CN2C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(C)(C)C)n2cc(nn2)COc2ccc(cc2)C1
• InChI: InChI=1S/C94H120N14O19.C92H115N15O18/c1-55(103(15)89(119)126-93(9,10)11)81(111)97-79(91(3,4)5)84(114)105-51-69(107-50-68(100-102-107)54-125-72-38-34-62(35-39-72)78(95)88(118)123-19)47-74(105)76(109)45-65(42-58-28-32-60-24-20-22-26-63(60)40-58)83(113)96-73(87(117)122-18)44-57-30-36-71(37-31-57)124-53-67-49-108(101-99-67)70-48-75(77(110)46-66(86(116)121-17)43-59-29-33-61-25-21-23-27-64(61)41-59)106(52-70)85(115)80(92(6,7)8)98-82(112)56(2)104(16)90(120)127-94(12,13)14;1-53(102(15)87(118)124-91(9,10)11)78(109)96-76(89(3,4)5)83(114)104-49-66-45-72(104)81(112)93-70(42-56-27-31-58-23-19-21-25-61(58)40-56)74(108)44-63(85(116)120-17)39-55-29-35-68(36-30-55)122-51-64-47-107(100-98-64)67-46-73(105(50-67)84(115)77(90(6,7)8)97-79(110)54(2)103(16)88(119)125-92(12,13)14)82(113)94-71(43-57-28-32-59-24-20-22-26-62(59)41-57)80(111)95-75(86(117)121-18)60-33-37-69(38-34-60)123-52-65-48-106(66)101-99-65/h20-41,49-50,55-56,65-66,69-70,73-75,78-80H,42-48,51-54,95H2,1-19H3,(H,96,113)(H,97,111)(H,98,112);19-38,40-41,47-48,53-54,63,66-67,70-73,75-77H,39,42-46,49-52H2,1-18H3,(H,93,112)(H,94,113)(H,95,111)(H,96,109)(H,97,110)/t55-,56-,65?,66+,69-,70-,73-,74-,75-,78-,79+,80+;53-,54-,63+,66-,67-,70-,71-,72-,73-,75-,76+,77+/m00/s1
• InChIKey: AOALNNCIBUSTNM-FLAVMYRASA-N
• XLogP: 19.05
• TPSA: 800.69 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 50
• Rotatable Bonds: 48
• Heavy Atoms: 252
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3469.09
LogP ≤ 5	19.05
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	50

Frequently Asked Questions

What is the IUPAC name of dimethyl (8S,11S,14S,17S,28S,31S,34S,37R)-10,30-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-14,34-bis(naphthalen-2-ylmethyl)-12,15,32,35-tetraoxo-2,22-dioxa-5,6,7,10,13,16,25,26,27,30,33-undecazaheptacyclo[37.2.2.218,21.14,7.18,11.124,27.128,31]nonatetraconta-1(42),4(49),5,18,20,24(45),25,39(43),40,46-decaene-17,37-dicarboxylate;methyl (2R)-4-[(2S,4S)-4-[4-[[4-[(2S)-2-[[4-[(2S,4S)-4-[4-[[4-[(1S)-1-amino-2-methoxy-2-oxoethyl]phenoxy]methyl]triazol-1-yl]-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-2-(naphthalen-2-ylmethyl)-4-oxobutanoyl]amino]-3-methoxy-3-oxopropyl]phenoxy]methyl]triazol-1-yl]-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-2-(naphthalen-2-ylmethyl)-4-oxobutanoate?

The IUPAC name of dimethyl (8S,11S,14S,17S,28S,31S,34S,37R)-10,30-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-14,34-bis(naphthalen-2-ylmethyl)-12,15,32,35-tetraoxo-2,22-dioxa-5,6,7,10,13,16,25,26,27,30,33-undecazaheptacyclo[37.2.2.218,21.14,7.18,11.124,27.128,31]nonatetraconta-1(42),4(49),5,18,20,24(45),25,39(43),40,46-decaene-17,37-dicarboxylate;methyl (2R)-4-[(2S,4S)-4-[4-[[4-[(2S)-2-[[4-[(2S,4S)-4-[4-[[4-[(1S)-1-amino-2-methoxy-2-oxoethyl]phenoxy]methyl]triazol-1-yl]-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-2-(naphthalen-2-ylmethyl)-4-oxobutanoyl]amino]-3-methoxy-3-oxopropyl]phenoxy]methyl]triazol-1-yl]-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-2-(naphthalen-2-ylmethyl)-4-oxobutanoate (CID 157176190) is dimethyl (8S,11S,14S,17S,28S,31S,34S,37R)-10,30-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-14,34-bis(naphthalen-2-ylmethyl)-12,15,32,35-tetraoxo-2,22-dioxa-5,6,7,10,13,16,25,26,27,30,33-undecazaheptacyclo[37.2.2.218,21.14,7.18,11.124,27.128,31]nonatetraconta-1(42),4(49),5,18,20,24(45),25,39(43),40,46-decaene-17,37-dicarboxylate;methyl (2R)-4-[(2S,4S)-4-[4-[[4-[(2S)-2-[[4-[(2S,4S)-4-[4-[[4-[(1S)-1-amino-2-methoxy-2-oxoethyl]phenoxy]methyl]triazol-1-yl]-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-2-(naphthalen-2-ylmethyl)-4-oxobutanoyl]amino]-3-methoxy-3-oxopropyl]phenoxy]methyl]triazol-1-yl]-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-2-(naphthalen-2-ylmethyl)-4-oxobutanoate.

What is the SMILES notation for dimethyl (8S,11S,14S,17S,28S,31S,34S,37R)-10,30-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-14,34-bis(naphthalen-2-ylmethyl)-12,15,32,35-tetraoxo-2,22-dioxa-5,6,7,10,13,16,25,26,27,30,33-undecazaheptacyclo[37.2.2.218,21.14,7.18,11.124,27.128,31]nonatetraconta-1(42),4(49),5,18,20,24(45),25,39(43),40,46-decaene-17,37-dicarboxylate;methyl (2R)-4-[(2S,4S)-4-[4-[[4-[(2S)-2-[[4-[(2S,4S)-4-[4-[[4-[(1S)-1-amino-2-methoxy-2-oxoethyl]phenoxy]methyl]triazol-1-yl]-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-2-(naphthalen-2-ylmethyl)-4-oxobutanoyl]amino]-3-methoxy-3-oxopropyl]phenoxy]methyl]triazol-1-yl]-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-2-(naphthalen-2-ylmethyl)-4-oxobutanoate?

The canonical SMILES for dimethyl (8S,11S,14S,17S,28S,31S,34S,37R)-10,30-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-14,34-bis(naphthalen-2-ylmethyl)-12,15,32,35-tetraoxo-2,22-dioxa-5,6,7,10,13,16,25,26,27,30,33-undecazaheptacyclo[37.2.2.218,21.14,7.18,11.124,27.128,31]nonatetraconta-1(42),4(49),5,18,20,24(45),25,39(43),40,46-decaene-17,37-dicarboxylate;methyl (2R)-4-[(2S,4S)-4-[4-[[4-[(2S)-2-[[4-[(2S,4S)-4-[4-[[4-[(1S)-1-amino-2-methoxy-2-oxoethyl]phenoxy]methyl]triazol-1-yl]-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-2-(naphthalen-2-ylmethyl)-4-oxobutanoyl]amino]-3-methoxy-3-oxopropyl]phenoxy]methyl]triazol-1-yl]-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-2-(naphthalen-2-ylmethyl)-4-oxobutanoate is COC(=O)[C@@H](CC(=O)[C@@H]1C[C@H](n2cc(COc3ccc(C[C@H](NC(=O)C(CC(=O)[C@@H]4C[C@H](n5cc(COc6ccc([C@H](N)C(=O)OC)cc6)nn5)CN4C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(C)(C)C)Cc4ccc5ccccc5c4)C(=O)OC)cc3)nn2)CN1C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(C)(C)C)Cc1ccc2ccccc2c1.COC(=O)[C@H]1CC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@@H](CN2C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(C)(C)C)n2cc(nn2)COc2ccc(cc2)[C@@H](C(=O)OC)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@@H](CN2C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(C)(C)C)n2cc(nn2)COc2ccc(cc2)C1.

What is the InChIKey of dimethyl (8S,11S,14S,17S,28S,31S,34S,37R)-10,30-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-14,34-bis(naphthalen-2-ylmethyl)-12,15,32,35-tetraoxo-2,22-dioxa-5,6,7,10,13,16,25,26,27,30,33-undecazaheptacyclo[37.2.2.218,21.14,7.18,11.124,27.128,31]nonatetraconta-1(42),4(49),5,18,20,24(45),25,39(43),40,46-decaene-17,37-dicarboxylate;methyl (2R)-4-[(2S,4S)-4-[4-[[4-[(2S)-2-[[4-[(2S,4S)-4-[4-[[4-[(1S)-1-amino-2-methoxy-2-oxoethyl]phenoxy]methyl]triazol-1-yl]-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-2-(naphthalen-2-ylmethyl)-4-oxobutanoyl]amino]-3-methoxy-3-oxopropyl]phenoxy]methyl]triazol-1-yl]-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-2-(naphthalen-2-ylmethyl)-4-oxobutanoate?

The InChIKey is AOALNNCIBUSTNM-FLAVMYRASA-N. The full InChI is InChI=1S/C94H120N14O19.C92H115N15O18/c1-55(103(15)89(119)126-93(9,10)11)81(111)97-79(91(3,4)5)84(114)105-51-69(107-50-68(100-102-107)54-125-72-38-34-62(35-39-72)78(95)88(118)123-19)47-74(105)76(109)45-65(42-58-28-32-60-24-20-22-26-63(60)40-58)83(113)96-73(87(117)122-18)44-57-30-36-71(37-31-57)124-53-67-49-108(101-99-67)70-48-75(77(110)46-66(86(116)121-17)43-59-29-33-61-25-21-23-27-64(61)41-59)106(52-70)85(115)80(92(6,7)8)98-82(112)56(2)104(16)90(120)127-94(12,13)14;1-53(102(15)87(118)124-91(9,10)11)78(109)96-76(89(3,4)5)83(114)104-49-66-45-72(104)81(112)93-70(42-56-27-31-58-23-19-21-25-61(58)40-56)74(108)44-63(85(116)120-17)39-55-29-35-68(36-30-55)122-51-64-47-107(100-98-64)67-46-73(105(50-67)84(115)77(90(6,7)8)97-79(110)54(2)103(16)88(119)125-92(12,13)14)82(113)94-71(43-57-28-32-59-24-20-22-26-62(59)41-57)80(111)95-75(86(117)121-18)60-33-37-69(38-34-60)123-52-65-48-106(66)101-99-65/h20-41,49-50,55-56,65-66,69-70,73-75,78-80H,42-48,51-54,95H2,1-19H3,(H,96,113)(H,97,111)(H,98,112);19-38,40-41,47-48,53-54,63,66-67,70-73,75-77H,39,42-46,49-52H2,1-18H3,(H,93,112)(H,94,113)(H,95,111)(H,96,109)(H,97,110)/t55-,56-,65?,66+,69-,70-,73-,74-,75-,78-,79+,80+;53-,54-,63+,66-,67-,70-,71-,72-,73-,75-,76+,77+/m00/s1.

What are the key properties of dimethyl (8S,11S,14S,17S,28S,31S,34S,37R)-10,30-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-14,34-bis(naphthalen-2-ylmethyl)-12,15,32,35-tetraoxo-2,22-dioxa-5,6,7,10,13,16,25,26,27,30,33-undecazaheptacyclo[37.2.2.218,21.14,7.18,11.124,27.128,31]nonatetraconta-1(42),4(49),5,18,20,24(45),25,39(43),40,46-decaene-17,37-dicarboxylate;methyl (2R)-4-[(2S,4S)-4-[4-[[4-[(2S)-2-[[4-[(2S,4S)-4-[4-[[4-[(1S)-1-amino-2-methoxy-2-oxoethyl]phenoxy]methyl]triazol-1-yl]-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-2-(naphthalen-2-ylmethyl)-4-oxobutanoyl]amino]-3-methoxy-3-oxopropyl]phenoxy]methyl]triazol-1-yl]-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-2-(naphthalen-2-ylmethyl)-4-oxobutanoate?

dimethyl (8S,11S,14S,17S,28S,31S,34S,37R)-10,30-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-14,34-bis(naphthalen-2-ylmethyl)-12,15,32,35-tetraoxo-2,22-dioxa-5,6,7,10,13,16,25,26,27,30,33-undecazaheptacyclo[37.2.2.218,21.14,7.18,11.124,27.128,31]nonatetraconta-1(42),4(49),5,18,20,24(45),25,39(43),40,46-decaene-17,37-dicarboxylate;methyl (2R)-4-[(2S,4S)-4-[4-[[4-[(2S)-2-[[4-[(2S,4S)-4-[4-[[4-[(1S)-1-amino-2-methoxy-2-oxoethyl]phenoxy]methyl]triazol-1-yl]-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-2-(naphthalen-2-ylmethyl)-4-oxobutanoyl]amino]-3-methoxy-3-oxopropyl]phenoxy]methyl]triazol-1-yl]-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-2-(naphthalen-2-ylmethyl)-4-oxobutanoate has a molecular weight of 3469.09 g/mol, XLogP of 19.05, 48 rotatable bonds, 9 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl (8S,11S,14S,17S,28S,31S,34S,37R)-10,30-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-14,34-bis(naphthalen-2-ylmethyl)-12,15,32,35-tetraoxo-2,22-dioxa-5,6,7,10,13,16,25,26,27,30,33-undecazaheptacyclo[37.2.2.218,21.14,7.18,11.124,27.128,31]nonatetraconta-1(42),4(49),5,18,20,24(45),25,39(43),40,46-decaene-17,37-dicarboxylate;methyl (2R)-4-[(2S,4S)-4-[4-[[4-[(2S)-2-[[4-[(2S,4S)-4-[4-[[4-[(1S)-1-amino-2-methoxy-2-oxoethyl]phenoxy]methyl]triazol-1-yl]-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-2-(naphthalen-2-ylmethyl)-4-oxobutanoyl]amino]-3-methoxy-3-oxopropyl]phenoxy]methyl]triazol-1-yl]-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-2-(naphthalen-2-ylmethyl)-4-oxobutanoate is sourced from PubChem (CID 157176190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).