(3S,6R)-8-amino-3-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-24-butyl-6-[(2R)-1-carboxypropan-2-yl]-3-[2-[2-(ethylamino)phenyl]-2-oxoethyl]-15,21-bis(formyloxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,10,13,16,19,25,28-heptazacyclohentriacont-30-yl]carbamoyl]-6-[[(2S)-2-(decanoylamino)-3-(5-fluoro-1H-indol-3-yl)propanoyl]amino]-5,8-dioxooctanoic acid;(2S)-2-(decanoylamino)-3-(5-fluoro-1H-indol-3-yl)propanoic acid;(3S,6R)-6,8-diamino-3-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-24-butyl-6-[(2R)-1-carboxypropan-2-yl]-3-[2-[2-(ethylamino)phenyl]-2-oxoethyl]-15,21-bis(formyloxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,10,13,16,19,25,28-heptazacyclohentriacont-30-yl]carbamoyl]-5,8-dioxooctanoic acid

C156H218F2N26O53 — CID 157422214

About (3S,6R)-8-amino-3-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-24-butyl-6-[(2R)-1-carboxypropan-2-yl]-3-[2-[2-(ethylamino)phenyl]-2-oxoethyl]-15,21-bis(formyloxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,10,13,16,19,25,28-heptazacyclohentriacont-30-yl]carbamoyl]-6-[[(2S)-2-(decanoylamino)-3-(5-fluoro-1H-indol-3-yl)propanoyl]amino]-5,8-dioxooctanoic acid;(2S)-2-(decanoylamino)-3-(5-fluoro-1H-indol-3-yl)propanoic acid;(3S,6R)-6,8-diamino-3-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-24-butyl-6-[(2R)-1-carboxypropan-2-yl]-3-[2-[2-(ethylamino)phenyl]-2-oxoethyl]-15,21-bis(formyloxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,10,13,16,19,25,28-heptazacyclohentriacont-30-yl]carbamoyl]-5,8-dioxooctanoic acid

(3S,6R)-8-amino-3-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-24-butyl-6-[(2R)-1-carboxypropan-2-yl]-3-[2-[2-(ethylamino)phenyl]-2-oxoethyl]-15,21-bis(formyloxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,10,13,16,19,25,28-heptazacyclohentriacont-30-yl]carbamoyl]-6-[[(2S)-2-(decanoylamino)-3-(5-fluoro-1H-indol-3-yl)propanoyl]amino]-5,8-dioxooctanoic acid;(2S)-2-(decanoylamino)-3-(5-fluoro-1H-indol-3-yl)propanoic acid;(3S,6R)-6,8-diamino-3-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-24-butyl-6-[(2R)-1-carboxypropan-2-yl]-3-[2-[2-(ethylamino)phenyl]-2-oxoethyl]-15,21-bis(formyloxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,10,13,16,19,25,28-heptazacyclohentriacont-30-yl]carbamoyl]-5,8-dioxooctanoic acid (PubChem CID 157422214) has the molecular formula C156H218F2N26O53 and a molecular weight of 3343.58 g/mol. Its IUPAC name is (3S,6R)-8-amino-3-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-24-butyl-6-[(2R)-1-carboxypropan-2-yl]-3-[2-[2-(ethylamino)phenyl]-2-oxoethyl]-15,21-bis(formyloxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,10,13,16,19,25,28-heptazacyclohentriacont-30-yl]carbamoyl]-6-[[(2S)-2-(decanoylamino)-3-(5-fluoro-1H-indol-3-yl)propanoyl]amino]-5,8-dioxooctanoic acid;(2S)-2-(decanoylamino)-3-(5-fluoro-1H-indol-3-yl)propanoic acid;(3S,6R)-6,8-diamino-3-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-24-butyl-6-[(2R)-1-carboxypropan-2-yl]-3-[2-[2-(ethylamino)phenyl]-2-oxoethyl]-15,21-bis(formyloxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,10,13,16,19,25,28-heptazacyclohentriacont-30-yl]carbamoyl]-5,8-dioxooctanoic acid.

Molecular Properties

• Compound Name: (3S,6R)-8-amino-3-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-24-butyl-6-[(2R)-1-carboxypropan-2-yl]-3-[2-[2-(ethylamino)phenyl]-2-oxoethyl]-15,21-bis(formyloxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,10,13,16,19,25,28-heptazacyclohentriacont-30-yl]carbamoyl]-6-[[(2S)-2-(decanoylamino)-3-(5-fluoro-1H-indol-3-yl)propanoyl]amino]-5,8-dioxooctanoic acid;(2S)-2-(decanoylamino)-3-(5-fluoro-1H-indol-3-yl)propanoic acid;(3S,6R)-6,8-diamino-3-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-24-butyl-6-[(2R)-1-carboxypropan-2-yl]-3-[2-[2-(ethylamino)phenyl]-2-oxoethyl]-15,21-bis(formyloxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,10,13,16,19,25,28-heptazacyclohentriacont-30-yl]carbamoyl]-5,8-dioxooctanoic acid
• PubChem CID: 157422214
• Molecular Formula: C156H218F2N26O53
• Molecular Weight: 3343.58 g/mol
• Exact Mass: 3341.51
• IUPAC Name: (3S,6R)-8-amino-3-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-24-butyl-6-[(2R)-1-carboxypropan-2-yl]-3-[2-[2-(ethylamino)phenyl]-2-oxoethyl]-15,21-bis(formyloxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,10,13,16,19,25,28-heptazacyclohentriacont-30-yl]carbamoyl]-6-[[(2S)-2-(decanoylamino)-3-(5-fluoro-1H-indol-3-yl)propanoyl]amino]-5,8-dioxooctanoic acid;(2S)-2-(decanoylamino)-3-(5-fluoro-1H-indol-3-yl)propanoic acid;(3S,6R)-6,8-diamino-3-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-24-butyl-6-[(2R)-1-carboxypropan-2-yl]-3-[2-[2-(ethylamino)phenyl]-2-oxoethyl]-15,21-bis(formyloxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,10,13,16,19,25,28-heptazacyclohentriacont-30-yl]carbamoyl]-5,8-dioxooctanoic acid
• SMILES: CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccc(F)cc12)C(=O)N[C@H](CC(N)=O)C(=O)C[C@@H](CC(=O)O)C(=O)N[C@@H]1C(=O)NCC(=O)N[C@@H](CCCC)C(=O)C[C@@H](COC=O)C(=O)N[C@H](C)C(=O)N[C@@H](COC=O)C(=O)NCC(=O)N[C@H](CO)C(=O)C[C@@H]([C@H](C)CC(=O)O)C(=O)N[C@@H](CC(=O)c2ccccc2NCC)C(=O)O[C@@H]1C.CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccc(F)cc12)C(=O)O.CCCC[C@@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)CC(=O)[C@H](N)CC(N)=O)[C@@H](C)OC(=O)[C@H](CC(=O)c2ccccc2NCC)NC(=O)[C@H]([C@H](C)CC(=O)O)CC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@H](COC=O)NC(=O)[C@@H](C)NC(=O)[C@H](COC=O)CC1=O
• InChI: InChI=1S/C78H108FN13O26.C57H81N11O24.C21H29FN2O3/c1-7-10-12-13-14-15-16-22-65(101)87-56(26-46-34-82-53-24-23-48(79)30-51(46)53)76(113)89-55(33-64(80)100)62(98)27-45(29-69(106)107)72(109)92-70-44(6)118-78(115)57(32-60(96)49-19-17-18-21-52(49)81-9-3)90-74(111)50(42(4)25-68(104)105)31-63(99)58(37-93)88-67(103)35-83-75(112)59(39-117-41-95)91-71(108)43(5)85-73(110)47(38-116-40-94)28-61(97)54(20-11-8-2)86-66(102)36-84-77(70)114;1-6-8-12-37-43(74)16-32(24-90-26-70)53(85)63-29(4)51(83)67-40(25-91-27-71)55(87)61-21-47(78)65-39(23-69)44(75)18-34(28(3)14-48(79)80)54(86)66-38(20-41(72)33-11-9-10-13-36(33)60-7-2)57(89)92-30(5)50(56(88)62-22-46(77)64-37)68-52(84)31(17-49(81)82)15-42(73)35(58)19-45(59)76;1-2-3-4-5-6-7-8-9-20(25)24-19(21(26)27)12-15-14-23-18-11-10-16(22)13-17(15)18/h17-19,21,23-24,30,34,40-45,47,50,54-59,70,81-82,93H,7-16,20,22,25-29,31-33,35-39H2,1-6H3,(H2,80,100)(H,83,112)(H,84,114)(H,85,110)(H,86,102)(H,87,101)(H,88,103)(H,89,113)(H,90,111)(H,91,108)(H,92,109)(H,104,105)(H,106,107);9-11,13,26-32,34-35,37-40,50,60,69H,6-8,12,14-25,58H2,1-5H3,(H2,59,76)(H,61,87)(H,62,88)(H,63,85)(H,64,77)(H,65,78)(H,66,86)(H,67,83)(H,68,84)(H,79,80)(H,81,82);10-11,13-14,19,23H,2-9,12H2,1H3,(H,24,25)(H,26,27)/t42-,43-,44-,45+,47+,50+,54+,55-,56+,57+,58-,59+,70+;28-,29-,30-,31+,32+,34+,35-,37+,38+,39-,40+,50+;19-/m110/s1
• InChIKey: BPNULTZLUMPORK-ADGQZHFISA-N
• XLogP: -1.11
• TPSA: 1242.06 Ų
• H-Bond Donors: 33
• H-Bond Acceptors: 51
• Rotatable Bonds: 79
• Heavy Atoms: 237
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3343.58
LogP ≤ 5	-1.11
H-Bond Donors ≤ 5	33
H-Bond Acceptors ≤ 10	51

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-8-amino-3-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-24-butyl-6-[(2R)-1-carboxypropan-2-yl]-3-[2-[2-(ethylamino)phenyl]-2-oxoethyl]-15,21-bis(formyloxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,10,13,16,19,25,28-heptazacyclohentriacont-30-yl]carbamoyl]-6-[[(2S)-2-(decanoylamino)-3-(5-fluoro-1H-indol-3-yl)propanoyl]amino]-5,8-dioxooctanoic acid;(2S)-2-(decanoylamino)-3-(5-fluoro-1H-indol-3-yl)propanoic acid;(3S,6R)-6,8-diamino-3-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-24-butyl-6-[(2R)-1-carboxypropan-2-yl]-3-[2-[2-(ethylamino)phenyl]-2-oxoethyl]-15,21-bis(formyloxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,10,13,16,19,25,28-heptazacyclohentriacont-30-yl]carbamoyl]-5,8-dioxooctanoic acid?

The IUPAC name of (3S,6R)-8-amino-3-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-24-butyl-6-[(2R)-1-carboxypropan-2-yl]-3-[2-[2-(ethylamino)phenyl]-2-oxoethyl]-15,21-bis(formyloxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,10,13,16,19,25,28-heptazacyclohentriacont-30-yl]carbamoyl]-6-[[(2S)-2-(decanoylamino)-3-(5-fluoro-1H-indol-3-yl)propanoyl]amino]-5,8-dioxooctanoic acid;(2S)-2-(decanoylamino)-3-(5-fluoro-1H-indol-3-yl)propanoic acid;(3S,6R)-6,8-diamino-3-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-24-butyl-6-[(2R)-1-carboxypropan-2-yl]-3-[2-[2-(ethylamino)phenyl]-2-oxoethyl]-15,21-bis(formyloxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,10,13,16,19,25,28-heptazacyclohentriacont-30-yl]carbamoyl]-5,8-dioxooctanoic acid (CID 157422214) is (3S,6R)-8-amino-3-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-24-butyl-6-[(2R)-1-carboxypropan-2-yl]-3-[2-[2-(ethylamino)phenyl]-2-oxoethyl]-15,21-bis(formyloxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,10,13,16,19,25,28-heptazacyclohentriacont-30-yl]carbamoyl]-6-[[(2S)-2-(decanoylamino)-3-(5-fluoro-1H-indol-3-yl)propanoyl]amino]-5,8-dioxooctanoic acid;(2S)-2-(decanoylamino)-3-(5-fluoro-1H-indol-3-yl)propanoic acid;(3S,6R)-6,8-diamino-3-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-24-butyl-6-[(2R)-1-carboxypropan-2-yl]-3-[2-[2-(ethylamino)phenyl]-2-oxoethyl]-15,21-bis(formyloxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,10,13,16,19,25,28-heptazacyclohentriacont-30-yl]carbamoyl]-5,8-dioxooctanoic acid.

What is the SMILES notation for (3S,6R)-8-amino-3-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-24-butyl-6-[(2R)-1-carboxypropan-2-yl]-3-[2-[2-(ethylamino)phenyl]-2-oxoethyl]-15,21-bis(formyloxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,10,13,16,19,25,28-heptazacyclohentriacont-30-yl]carbamoyl]-6-[[(2S)-2-(decanoylamino)-3-(5-fluoro-1H-indol-3-yl)propanoyl]amino]-5,8-dioxooctanoic acid;(2S)-2-(decanoylamino)-3-(5-fluoro-1H-indol-3-yl)propanoic acid;(3S,6R)-6,8-diamino-3-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-24-butyl-6-[(2R)-1-carboxypropan-2-yl]-3-[2-[2-(ethylamino)phenyl]-2-oxoethyl]-15,21-bis(formyloxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,10,13,16,19,25,28-heptazacyclohentriacont-30-yl]carbamoyl]-5,8-dioxooctanoic acid?

The canonical SMILES for (3S,6R)-8-amino-3-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-24-butyl-6-[(2R)-1-carboxypropan-2-yl]-3-[2-[2-(ethylamino)phenyl]-2-oxoethyl]-15,21-bis(formyloxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,10,13,16,19,25,28-heptazacyclohentriacont-30-yl]carbamoyl]-6-[[(2S)-2-(decanoylamino)-3-(5-fluoro-1H-indol-3-yl)propanoyl]amino]-5,8-dioxooctanoic acid;(2S)-2-(decanoylamino)-3-(5-fluoro-1H-indol-3-yl)propanoic acid;(3S,6R)-6,8-diamino-3-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-24-butyl-6-[(2R)-1-carboxypropan-2-yl]-3-[2-[2-(ethylamino)phenyl]-2-oxoethyl]-15,21-bis(formyloxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,10,13,16,19,25,28-heptazacyclohentriacont-30-yl]carbamoyl]-5,8-dioxooctanoic acid is CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccc(F)cc12)C(=O)N[C@H](CC(N)=O)C(=O)C[C@@H](CC(=O)O)C(=O)N[C@@H]1C(=O)NCC(=O)N[C@@H](CCCC)C(=O)C[C@@H](COC=O)C(=O)N[C@H](C)C(=O)N[C@@H](COC=O)C(=O)NCC(=O)N[C@H](CO)C(=O)C[C@@H]([C@H](C)CC(=O)O)C(=O)N[C@@H](CC(=O)c2ccccc2NCC)C(=O)O[C@@H]1C.CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccc(F)cc12)C(=O)O.CCCC[C@@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)CC(=O)[C@H](N)CC(N)=O)[C@@H](C)OC(=O)[C@H](CC(=O)c2ccccc2NCC)NC(=O)[C@H]([C@H](C)CC(=O)O)CC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@H](COC=O)NC(=O)[C@@H](C)NC(=O)[C@H](COC=O)CC1=O.

What is the InChIKey of (3S,6R)-8-amino-3-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-24-butyl-6-[(2R)-1-carboxypropan-2-yl]-3-[2-[2-(ethylamino)phenyl]-2-oxoethyl]-15,21-bis(formyloxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,10,13,16,19,25,28-heptazacyclohentriacont-30-yl]carbamoyl]-6-[[(2S)-2-(decanoylamino)-3-(5-fluoro-1H-indol-3-yl)propanoyl]amino]-5,8-dioxooctanoic acid;(2S)-2-(decanoylamino)-3-(5-fluoro-1H-indol-3-yl)propanoic acid;(3S,6R)-6,8-diamino-3-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-24-butyl-6-[(2R)-1-carboxypropan-2-yl]-3-[2-[2-(ethylamino)phenyl]-2-oxoethyl]-15,21-bis(formyloxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,10,13,16,19,25,28-heptazacyclohentriacont-30-yl]carbamoyl]-5,8-dioxooctanoic acid?

The InChIKey is BPNULTZLUMPORK-ADGQZHFISA-N. The full InChI is InChI=1S/C78H108FN13O26.C57H81N11O24.C21H29FN2O3/c1-7-10-12-13-14-15-16-22-65(101)87-56(26-46-34-82-53-24-23-48(79)30-51(46)53)76(113)89-55(33-64(80)100)62(98)27-45(29-69(106)107)72(109)92-70-44(6)118-78(115)57(32-60(96)49-19-17-18-21-52(49)81-9-3)90-74(111)50(42(4)25-68(104)105)31-63(99)58(37-93)88-67(103)35-83-75(112)59(39-117-41-95)91-71(108)43(5)85-73(110)47(38-116-40-94)28-61(97)54(20-11-8-2)86-66(102)36-84-77(70)114;1-6-8-12-37-43(74)16-32(24-90-26-70)53(85)63-29(4)51(83)67-40(25-91-27-71)55(87)61-21-47(78)65-39(23-69)44(75)18-34(28(3)14-48(79)80)54(86)66-38(20-41(72)33-11-9-10-13-36(33)60-7-2)57(89)92-30(5)50(56(88)62-22-46(77)64-37)68-52(84)31(17-49(81)82)15-42(73)35(58)19-45(59)76;1-2-3-4-5-6-7-8-9-20(25)24-19(21(26)27)12-15-14-23-18-11-10-16(22)13-17(15)18/h17-19,21,23-24,30,34,40-45,47,50,54-59,70,81-82,93H,7-16,20,22,25-29,31-33,35-39H2,1-6H3,(H2,80,100)(H,83,112)(H,84,114)(H,85,110)(H,86,102)(H,87,101)(H,88,103)(H,89,113)(H,90,111)(H,91,108)(H,92,109)(H,104,105)(H,106,107);9-11,13,26-32,34-35,37-40,50,60,69H,6-8,12,14-25,58H2,1-5H3,(H2,59,76)(H,61,87)(H,62,88)(H,63,85)(H,64,77)(H,65,78)(H,66,86)(H,67,83)(H,68,84)(H,79,80)(H,81,82);10-11,13-14,19,23H,2-9,12H2,1H3,(H,24,25)(H,26,27)/t42-,43-,44-,45+,47+,50+,54+,55-,56+,57+,58-,59+,70+;28-,29-,30-,31+,32+,34+,35-,37+,38+,39-,40+,50+;19-/m110/s1.

What are the key properties of (3S,6R)-8-amino-3-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-24-butyl-6-[(2R)-1-carboxypropan-2-yl]-3-[2-[2-(ethylamino)phenyl]-2-oxoethyl]-15,21-bis(formyloxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,10,13,16,19,25,28-heptazacyclohentriacont-30-yl]carbamoyl]-6-[[(2S)-2-(decanoylamino)-3-(5-fluoro-1H-indol-3-yl)propanoyl]amino]-5,8-dioxooctanoic acid;(2S)-2-(decanoylamino)-3-(5-fluoro-1H-indol-3-yl)propanoic acid;(3S,6R)-6,8-diamino-3-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-24-butyl-6-[(2R)-1-carboxypropan-2-yl]-3-[2-[2-(ethylamino)phenyl]-2-oxoethyl]-15,21-bis(formyloxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,10,13,16,19,25,28-heptazacyclohentriacont-30-yl]carbamoyl]-5,8-dioxooctanoic acid?

(3S,6R)-8-amino-3-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-24-butyl-6-[(2R)-1-carboxypropan-2-yl]-3-[2-[2-(ethylamino)phenyl]-2-oxoethyl]-15,21-bis(formyloxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,10,13,16,19,25,28-heptazacyclohentriacont-30-yl]carbamoyl]-6-[[(2S)-2-(decanoylamino)-3-(5-fluoro-1H-indol-3-yl)propanoyl]amino]-5,8-dioxooctanoic acid;(2S)-2-(decanoylamino)-3-(5-fluoro-1H-indol-3-yl)propanoic acid;(3S,6R)-6,8-diamino-3-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-24-butyl-6-[(2R)-1-carboxypropan-2-yl]-3-[2-[2-(ethylamino)phenyl]-2-oxoethyl]-15,21-bis(formyloxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,10,13,16,19,25,28-heptazacyclohentriacont-30-yl]carbamoyl]-5,8-dioxooctanoic acid has a molecular weight of 3343.58 g/mol, XLogP of -1.11, 79 rotatable bonds, 33 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,6R)-8-amino-3-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-24-butyl-6-[(2R)-1-carboxypropan-2-yl]-3-[2-[2-(ethylamino)phenyl]-2-oxoethyl]-15,21-bis(formyloxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,10,13,16,19,25,28-heptazacyclohentriacont-30-yl]carbamoyl]-6-[[(2S)-2-(decanoylamino)-3-(5-fluoro-1H-indol-3-yl)propanoyl]amino]-5,8-dioxooctanoic acid;(2S)-2-(decanoylamino)-3-(5-fluoro-1H-indol-3-yl)propanoic acid;(3S,6R)-6,8-diamino-3-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-24-butyl-6-[(2R)-1-carboxypropan-2-yl]-3-[2-[2-(ethylamino)phenyl]-2-oxoethyl]-15,21-bis(formyloxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,10,13,16,19,25,28-heptazacyclohentriacont-30-yl]carbamoyl]-5,8-dioxooctanoic acid is sourced from PubChem (CID 157422214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).