(3S,6R)-8-amino-3-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-butyl-6-[(2R)-1-carboxypropan-2-yl]-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-(1H-indol-3-yl)propanoyl]amino]-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]-15,21-bis(formyloxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-3-[2-[2-(methylamino)phenyl]-2-oxoethyl]-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-(1H-indol-3-yl)propanoyl]amino]-5,8-dioxooctanoic acid

C153H212N26O52 — CID 162153303

About (3S,6R)-8-amino-3-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-butyl-6-[(2R)-1-carboxypropan-2-yl]-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-(1H-indol-3-yl)propanoyl]amino]-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]-15,21-bis(formyloxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-3-[2-[2-(methylamino)phenyl]-2-oxoethyl]-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-(1H-indol-3-yl)propanoyl]amino]-5,8-dioxooctanoic acid

(3S,6R)-8-amino-3-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-butyl-6-[(2R)-1-carboxypropan-2-yl]-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-(1H-indol-3-yl)propanoyl]amino]-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]-15,21-bis(formyloxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-3-[2-[2-(methylamino)phenyl]-2-oxoethyl]-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-(1H-indol-3-yl)propanoyl]amino]-5,8-dioxooctanoic acid (PubChem CID 162153303) has the molecular formula C153H212N26O52 and a molecular weight of 3247.51 g/mol. Its IUPAC name is (3S,6R)-8-amino-3-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-butyl-6-[(2R)-1-carboxypropan-2-yl]-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-(1H-indol-3-yl)propanoyl]amino]-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]-15,21-bis(formyloxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-3-[2-[2-(methylamino)phenyl]-2-oxoethyl]-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-(1H-indol-3-yl)propanoyl]amino]-5,8-dioxooctanoic acid.

Molecular Properties

• Compound Name: (3S,6R)-8-amino-3-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-butyl-6-[(2R)-1-carboxypropan-2-yl]-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-(1H-indol-3-yl)propanoyl]amino]-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]-15,21-bis(formyloxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-3-[2-[2-(methylamino)phenyl]-2-oxoethyl]-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-(1H-indol-3-yl)propanoyl]amino]-5,8-dioxooctanoic acid
• PubChem CID: 162153303
• Molecular Formula: C153H212N26O52
• Molecular Weight: 3247.51 g/mol
• Exact Mass: 3245.47
• IUPAC Name: (3S,6R)-8-amino-3-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-butyl-6-[(2R)-1-carboxypropan-2-yl]-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-(1H-indol-3-yl)propanoyl]amino]-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]-15,21-bis(formyloxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-3-[2-[2-(methylamino)phenyl]-2-oxoethyl]-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-(1H-indol-3-yl)propanoyl]amino]-5,8-dioxooctanoic acid
• SMILES: CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)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)c2ccccc2N)C(=O)O[C@@H]1C.CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)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)c2ccccc2NC)C(=O)O[C@@H]1C
• InChI: InChI=1S/C77H107N13O26.C76H105N13O26/c1-7-9-11-12-13-14-15-25-64(99)85-55(27-46-34-80-52-24-19-16-20-48(46)52)75(111)87-54(33-63(78)98)61(96)28-45(30-68(104)105)71(107)90-69-44(5)116-77(113)56(32-59(94)49-21-17-18-23-51(49)79-6)88-73(109)50(42(3)26-67(102)103)31-62(97)57(37-91)86-66(101)35-81-74(110)58(39-115-41-93)89-70(106)43(4)83-72(108)47(38-114-40-92)29-60(95)53(22-10-8-2)84-65(100)36-82-76(69)112;1-6-8-10-11-12-13-14-24-63(98)84-54(26-45-33-79-51-23-18-16-19-47(45)51)74(110)86-53(32-62(78)97)60(95)27-44(29-67(103)104)70(106)89-68-43(5)115-76(112)55(31-58(93)48-20-15-17-21-50(48)77)87-72(108)49(41(3)25-66(101)102)30-61(96)56(36-90)85-65(100)34-80-73(109)57(38-114-40-92)88-69(105)42(4)82-71(107)46(37-113-39-91)28-59(94)52(22-9-7-2)83-64(99)35-81-75(68)111/h16-21,23-24,34,40-45,47,50,53-58,69,79-80,91H,7-15,22,25-33,35-39H2,1-6H3,(H2,78,98)(H,81,110)(H,82,112)(H,83,108)(H,84,100)(H,85,99)(H,86,101)(H,87,111)(H,88,109)(H,89,106)(H,90,107)(H,102,103)(H,104,105);15-21,23,33,39-44,46,49,52-57,68,79,90H,6-14,22,24-32,34-38,77H2,1-5H3,(H2,78,97)(H,80,109)(H,81,111)(H,82,107)(H,83,99)(H,84,98)(H,85,100)(H,86,110)(H,87,108)(H,88,105)(H,89,106)(H,101,102)(H,103,104)/t42-,43-,44-,45+,47+,50+,53+,54-,55+,56+,57-,58+,69+;41-,42-,43-,44+,46+,49+,52+,53-,54+,55+,56-,57+,68+/m11/s1
• InChIKey: ZLMODPJHJGFLIJ-JGKYRHFFSA-N
• XLogP: -2.54
• TPSA: 1221.83 Ų
• H-Bond Donors: 32
• H-Bond Acceptors: 50
• Rotatable Bonds: 77
• Heavy Atoms: 231
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3247.51
LogP ≤ 5	-2.54
H-Bond Donors ≤ 5	32
H-Bond Acceptors ≤ 10	50

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-8-amino-3-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-butyl-6-[(2R)-1-carboxypropan-2-yl]-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-(1H-indol-3-yl)propanoyl]amino]-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]-15,21-bis(formyloxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-3-[2-[2-(methylamino)phenyl]-2-oxoethyl]-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-(1H-indol-3-yl)propanoyl]amino]-5,8-dioxooctanoic acid?

The IUPAC name of (3S,6R)-8-amino-3-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-butyl-6-[(2R)-1-carboxypropan-2-yl]-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-(1H-indol-3-yl)propanoyl]amino]-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]-15,21-bis(formyloxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-3-[2-[2-(methylamino)phenyl]-2-oxoethyl]-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-(1H-indol-3-yl)propanoyl]amino]-5,8-dioxooctanoic acid (CID 162153303) is (3S,6R)-8-amino-3-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-butyl-6-[(2R)-1-carboxypropan-2-yl]-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-(1H-indol-3-yl)propanoyl]amino]-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]-15,21-bis(formyloxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-3-[2-[2-(methylamino)phenyl]-2-oxoethyl]-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-(1H-indol-3-yl)propanoyl]amino]-5,8-dioxooctanoic acid.

What is the SMILES notation for (3S,6R)-8-amino-3-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-butyl-6-[(2R)-1-carboxypropan-2-yl]-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-(1H-indol-3-yl)propanoyl]amino]-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]-15,21-bis(formyloxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-3-[2-[2-(methylamino)phenyl]-2-oxoethyl]-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-(1H-indol-3-yl)propanoyl]amino]-5,8-dioxooctanoic acid?

The canonical SMILES for (3S,6R)-8-amino-3-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-butyl-6-[(2R)-1-carboxypropan-2-yl]-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-(1H-indol-3-yl)propanoyl]amino]-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]-15,21-bis(formyloxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-3-[2-[2-(methylamino)phenyl]-2-oxoethyl]-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-(1H-indol-3-yl)propanoyl]amino]-5,8-dioxooctanoic acid is CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)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)c2ccccc2N)C(=O)O[C@@H]1C.CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)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)c2ccccc2NC)C(=O)O[C@@H]1C.

What is the InChIKey of (3S,6R)-8-amino-3-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-butyl-6-[(2R)-1-carboxypropan-2-yl]-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-(1H-indol-3-yl)propanoyl]amino]-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]-15,21-bis(formyloxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-3-[2-[2-(methylamino)phenyl]-2-oxoethyl]-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-(1H-indol-3-yl)propanoyl]amino]-5,8-dioxooctanoic acid?

The InChIKey is ZLMODPJHJGFLIJ-JGKYRHFFSA-N. The full InChI is InChI=1S/C77H107N13O26.C76H105N13O26/c1-7-9-11-12-13-14-15-25-64(99)85-55(27-46-34-80-52-24-19-16-20-48(46)52)75(111)87-54(33-63(78)98)61(96)28-45(30-68(104)105)71(107)90-69-44(5)116-77(113)56(32-59(94)49-21-17-18-23-51(49)79-6)88-73(109)50(42(3)26-67(102)103)31-62(97)57(37-91)86-66(101)35-81-74(110)58(39-115-41-93)89-70(106)43(4)83-72(108)47(38-114-40-92)29-60(95)53(22-10-8-2)84-65(100)36-82-76(69)112;1-6-8-10-11-12-13-14-24-63(98)84-54(26-45-33-79-51-23-18-16-19-47(45)51)74(110)86-53(32-62(78)97)60(95)27-44(29-67(103)104)70(106)89-68-43(5)115-76(112)55(31-58(93)48-20-15-17-21-50(48)77)87-72(108)49(41(3)25-66(101)102)30-61(96)56(36-90)85-65(100)34-80-73(109)57(38-114-40-92)88-69(105)42(4)82-71(107)46(37-113-39-91)28-59(94)52(22-9-7-2)83-64(99)35-81-75(68)111/h16-21,23-24,34,40-45,47,50,53-58,69,79-80,91H,7-15,22,25-33,35-39H2,1-6H3,(H2,78,98)(H,81,110)(H,82,112)(H,83,108)(H,84,100)(H,85,99)(H,86,101)(H,87,111)(H,88,109)(H,89,106)(H,90,107)(H,102,103)(H,104,105);15-21,23,33,39-44,46,49,52-57,68,79,90H,6-14,22,24-32,34-38,77H2,1-5H3,(H2,78,97)(H,80,109)(H,81,111)(H,82,107)(H,83,99)(H,84,98)(H,85,100)(H,86,110)(H,87,108)(H,88,105)(H,89,106)(H,101,102)(H,103,104)/t42-,43-,44-,45+,47+,50+,53+,54-,55+,56+,57-,58+,69+;41-,42-,43-,44+,46+,49+,52+,53-,54+,55+,56-,57+,68+/m11/s1.

What are the key properties of (3S,6R)-8-amino-3-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-butyl-6-[(2R)-1-carboxypropan-2-yl]-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-(1H-indol-3-yl)propanoyl]amino]-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]-15,21-bis(formyloxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-3-[2-[2-(methylamino)phenyl]-2-oxoethyl]-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-(1H-indol-3-yl)propanoyl]amino]-5,8-dioxooctanoic acid?

(3S,6R)-8-amino-3-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-butyl-6-[(2R)-1-carboxypropan-2-yl]-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-(1H-indol-3-yl)propanoyl]amino]-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]-15,21-bis(formyloxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-3-[2-[2-(methylamino)phenyl]-2-oxoethyl]-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-(1H-indol-3-yl)propanoyl]amino]-5,8-dioxooctanoic acid has a molecular weight of 3247.51 g/mol, XLogP of -2.54, 77 rotatable bonds, 32 hydrogen bond donors, and 50 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)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-butyl-6-[(2R)-1-carboxypropan-2-yl]-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-(1H-indol-3-yl)propanoyl]amino]-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]-15,21-bis(formyloxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-3-[2-[2-(methylamino)phenyl]-2-oxoethyl]-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-(1H-indol-3-yl)propanoyl]amino]-5,8-dioxooctanoic acid is sourced from PubChem (CID 162153303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).