tert-butyl N-[3-[(3S,6R,9S,15S,18R,21S,24R,27S,30S,33R,36S,39R,42R,45R,48S,49S)-27-benzyl-49-carbamoyl-3-(3-chloro-4-hydroxyphenyl)-48-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-21-[4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-18,39-bis[(1R)-1-hydroxyethyl]-30-[(1S)-1-hydroxyethyl]-15,33,36,45-tetrakis(4-hydroxyphenyl)-6-methyl-24-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-9-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecazacyclononatetracont-42-yl]propyl]carbamate

C120H158ClN21O43 — CID 66552381

About tert-butyl N-[3-[(3S,6R,9S,15S,18R,21S,24R,27S,30S,33R,36S,39R,42R,45R,48S,49S)-27-benzyl-49-carbamoyl-3-(3-chloro-4-hydroxyphenyl)-48-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-21-[4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-18,39-bis[(1R)-1-hydroxyethyl]-30-[(1S)-1-hydroxyethyl]-15,33,36,45-tetrakis(4-hydroxyphenyl)-6-methyl-24-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-9-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecazacyclononatetracont-42-yl]propyl]carbamate

tert-butyl N-[3-[(3S,6R,9S,15S,18R,21S,24R,27S,30S,33R,36S,39R,42R,45R,48S,49S)-27-benzyl-49-carbamoyl-3-(3-chloro-4-hydroxyphenyl)-48-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-21-[4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-18,39-bis[(1R)-1-hydroxyethyl]-30-[(1S)-1-hydroxyethyl]-15,33,36,45-tetrakis(4-hydroxyphenyl)-6-methyl-24-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-9-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecazacyclononatetracont-42-yl]propyl]carbamate (PubChem CID 66552381) has the molecular formula C120H158ClN21O43 and a molecular weight of 2618.14 g/mol. Its IUPAC name is tert-butyl N-[3-[(3S,6R,9S,15S,18R,21S,24R,27S,30S,33R,36S,39R,42R,45R,48S,49S)-27-benzyl-49-carbamoyl-3-(3-chloro-4-hydroxyphenyl)-48-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-21-[4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-18,39-bis[(1R)-1-hydroxyethyl]-30-[(1S)-1-hydroxyethyl]-15,33,36,45-tetrakis(4-hydroxyphenyl)-6-methyl-24-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-9-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecazacyclononatetracont-42-yl]propyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[3-[(3S,6R,9S,15S,18R,21S,24R,27S,30S,33R,36S,39R,42R,45R,48S,49S)-27-benzyl-49-carbamoyl-3-(3-chloro-4-hydroxyphenyl)-48-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-21-[4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-18,39-bis[(1R)-1-hydroxyethyl]-30-[(1S)-1-hydroxyethyl]-15,33,36,45-tetrakis(4-hydroxyphenyl)-6-methyl-24-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-9-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecazacyclononatetracont-42-yl]propyl]carbamate
• PubChem CID: 66552381
• Molecular Formula: C120H158ClN21O43
• Molecular Weight: 2618.14 g/mol
• Exact Mass: 2616.05
• IUPAC Name: tert-butyl N-[3-[(3S,6R,9S,15S,18R,21S,24R,27S,30S,33R,36S,39R,42R,45R,48S,49S)-27-benzyl-49-carbamoyl-3-(3-chloro-4-hydroxyphenyl)-48-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-21-[4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-18,39-bis[(1R)-1-hydroxyethyl]-30-[(1S)-1-hydroxyethyl]-15,33,36,45-tetrakis(4-hydroxyphenyl)-6-methyl-24-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-9-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecazacyclononatetracont-42-yl]propyl]carbamate
• SMILES: CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](c2ccc(O)cc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@@H](c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)NC(=O)[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H](c2ccc(O)cc2)NC(=O)[C@H](c2ccc(O)cc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)[C@@H](c2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(N)=O)[C@@H](C(N)=O)OC(=O)[C@H](c2ccc(O)c(Cl)c2)NC(=O)[C@@H](C)NC1=O
• InChI: InChI=1S/C120H158ClN21O43/c1-53(2)46-74-103(165)128-54(3)99(161)141-89(64-32-43-76(152)70(121)48-64)114(176)182-96(98(124)160)90(142-100(162)71(122)49-79(123)153)113(175)140-85(60-24-35-66(149)36-25-60)109(171)131-73(21-17-45-126-118(178)185-120(10,11)12)101(163)133-82(56(5)146)107(169)138-88(62-28-39-68(151)40-29-62)112(174)139-87(61-26-37-67(150)38-27-61)111(173)134-81(55(4)145)106(168)132-75(47-58-18-14-13-15-19-58)104(166)130-72(20-16-44-125-117(177)184-119(7,8)9)102(164)136-86(110(172)135-83(57(6)147)108(170)137-84(59-22-33-65(148)34-23-59)105(167)127-50-80(154)129-74)63-30-41-69(42-31-63)179-116-97(94(158)92(156)78(52-144)181-116)183-115-95(159)93(157)91(155)77(51-143)180-115/h13-15,18-19,22-43,48,53-57,71-75,77-78,81-97,115-116,143-152,155-159H,16-17,20-21,44-47,49-52,122H2,1-12H3,(H2,123,153)(H2,124,160)(H,125,177)(H,126,178)(H,127,167)(H,128,165)(H,129,154)(H,130,166)(H,131,171)(H,132,168)(H,133,163)(H,134,173)(H,135,172)(H,136,164)(H,137,170)(H,138,169)(H,139,174)(H,140,175)(H,141,161)(H,142,162)/t54-,55+,56-,57-,71+,72-,73-,74+,75+,77-,78-,81+,82-,83-,84+,85-,86-,87-,88+,89+,90+,91-,92-,93+,94+,95+,96+,97+,115-,116+/m1/s1
• InChIKey: KVXNOKIAQAAILX-SHKVDTACSA-N
• XLogP: -6.53
• TPSA: 1021.13 Ų
• H-Bond Donors: 36
• H-Bond Acceptors: 44
• Rotatable Bonds: 32
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2618.14
LogP ≤ 5	-6.53
H-Bond Donors ≤ 5	36
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(3S,6R,9S,15S,18R,21S,24R,27S,30S,33R,36S,39R,42R,45R,48S,49S)-27-benzyl-49-carbamoyl-3-(3-chloro-4-hydroxyphenyl)-48-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-21-[4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-18,39-bis[(1R)-1-hydroxyethyl]-30-[(1S)-1-hydroxyethyl]-15,33,36,45-tetrakis(4-hydroxyphenyl)-6-methyl-24-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-9-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecazacyclononatetracont-42-yl]propyl]carbamate?

The IUPAC name of tert-butyl N-[3-[(3S,6R,9S,15S,18R,21S,24R,27S,30S,33R,36S,39R,42R,45R,48S,49S)-27-benzyl-49-carbamoyl-3-(3-chloro-4-hydroxyphenyl)-48-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-21-[4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-18,39-bis[(1R)-1-hydroxyethyl]-30-[(1S)-1-hydroxyethyl]-15,33,36,45-tetrakis(4-hydroxyphenyl)-6-methyl-24-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-9-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecazacyclononatetracont-42-yl]propyl]carbamate (CID 66552381) is tert-butyl N-[3-[(3S,6R,9S,15S,18R,21S,24R,27S,30S,33R,36S,39R,42R,45R,48S,49S)-27-benzyl-49-carbamoyl-3-(3-chloro-4-hydroxyphenyl)-48-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-21-[4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-18,39-bis[(1R)-1-hydroxyethyl]-30-[(1S)-1-hydroxyethyl]-15,33,36,45-tetrakis(4-hydroxyphenyl)-6-methyl-24-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-9-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecazacyclononatetracont-42-yl]propyl]carbamate.

What is the SMILES notation for tert-butyl N-[3-[(3S,6R,9S,15S,18R,21S,24R,27S,30S,33R,36S,39R,42R,45R,48S,49S)-27-benzyl-49-carbamoyl-3-(3-chloro-4-hydroxyphenyl)-48-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-21-[4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-18,39-bis[(1R)-1-hydroxyethyl]-30-[(1S)-1-hydroxyethyl]-15,33,36,45-tetrakis(4-hydroxyphenyl)-6-methyl-24-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-9-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecazacyclononatetracont-42-yl]propyl]carbamate?

The canonical SMILES for tert-butyl N-[3-[(3S,6R,9S,15S,18R,21S,24R,27S,30S,33R,36S,39R,42R,45R,48S,49S)-27-benzyl-49-carbamoyl-3-(3-chloro-4-hydroxyphenyl)-48-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-21-[4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-18,39-bis[(1R)-1-hydroxyethyl]-30-[(1S)-1-hydroxyethyl]-15,33,36,45-tetrakis(4-hydroxyphenyl)-6-methyl-24-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-9-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecazacyclononatetracont-42-yl]propyl]carbamate is CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](c2ccc(O)cc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@@H](c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)NC(=O)[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H](c2ccc(O)cc2)NC(=O)[C@H](c2ccc(O)cc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)[C@@H](c2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(N)=O)[C@@H](C(N)=O)OC(=O)[C@H](c2ccc(O)c(Cl)c2)NC(=O)[C@@H](C)NC1=O.

What is the InChIKey of tert-butyl N-[3-[(3S,6R,9S,15S,18R,21S,24R,27S,30S,33R,36S,39R,42R,45R,48S,49S)-27-benzyl-49-carbamoyl-3-(3-chloro-4-hydroxyphenyl)-48-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-21-[4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-18,39-bis[(1R)-1-hydroxyethyl]-30-[(1S)-1-hydroxyethyl]-15,33,36,45-tetrakis(4-hydroxyphenyl)-6-methyl-24-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-9-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecazacyclononatetracont-42-yl]propyl]carbamate?

The InChIKey is KVXNOKIAQAAILX-SHKVDTACSA-N. The full InChI is InChI=1S/C120H158ClN21O43/c1-53(2)46-74-103(165)128-54(3)99(161)141-89(64-32-43-76(152)70(121)48-64)114(176)182-96(98(124)160)90(142-100(162)71(122)49-79(123)153)113(175)140-85(60-24-35-66(149)36-25-60)109(171)131-73(21-17-45-126-118(178)185-120(10,11)12)101(163)133-82(56(5)146)107(169)138-88(62-28-39-68(151)40-29-62)112(174)139-87(61-26-37-67(150)38-27-61)111(173)134-81(55(4)145)106(168)132-75(47-58-18-14-13-15-19-58)104(166)130-72(20-16-44-125-117(177)184-119(7,8)9)102(164)136-86(110(172)135-83(57(6)147)108(170)137-84(59-22-33-65(148)34-23-59)105(167)127-50-80(154)129-74)63-30-41-69(42-31-63)179-116-97(94(158)92(156)78(52-144)181-116)183-115-95(159)93(157)91(155)77(51-143)180-115/h13-15,18-19,22-43,48,53-57,71-75,77-78,81-97,115-116,143-152,155-159H,16-17,20-21,44-47,49-52,122H2,1-12H3,(H2,123,153)(H2,124,160)(H,125,177)(H,126,178)(H,127,167)(H,128,165)(H,129,154)(H,130,166)(H,131,171)(H,132,168)(H,133,163)(H,134,173)(H,135,172)(H,136,164)(H,137,170)(H,138,169)(H,139,174)(H,140,175)(H,141,161)(H,142,162)/t54-,55+,56-,57-,71+,72-,73-,74+,75+,77-,78-,81+,82-,83-,84+,85-,86-,87-,88+,89+,90+,91-,92-,93+,94+,95+,96+,97+,115-,116+/m1/s1.

What are the key properties of tert-butyl N-[3-[(3S,6R,9S,15S,18R,21S,24R,27S,30S,33R,36S,39R,42R,45R,48S,49S)-27-benzyl-49-carbamoyl-3-(3-chloro-4-hydroxyphenyl)-48-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-21-[4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-18,39-bis[(1R)-1-hydroxyethyl]-30-[(1S)-1-hydroxyethyl]-15,33,36,45-tetrakis(4-hydroxyphenyl)-6-methyl-24-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-9-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecazacyclononatetracont-42-yl]propyl]carbamate?

tert-butyl N-[3-[(3S,6R,9S,15S,18R,21S,24R,27S,30S,33R,36S,39R,42R,45R,48S,49S)-27-benzyl-49-carbamoyl-3-(3-chloro-4-hydroxyphenyl)-48-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-21-[4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-18,39-bis[(1R)-1-hydroxyethyl]-30-[(1S)-1-hydroxyethyl]-15,33,36,45-tetrakis(4-hydroxyphenyl)-6-methyl-24-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-9-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecazacyclononatetracont-42-yl]propyl]carbamate has a molecular weight of 2618.14 g/mol, XLogP of -6.53, 32 rotatable bonds, 36 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[3-[(3S,6R,9S,15S,18R,21S,24R,27S,30S,33R,36S,39R,42R,45R,48S,49S)-27-benzyl-49-carbamoyl-3-(3-chloro-4-hydroxyphenyl)-48-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-21-[4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-18,39-bis[(1R)-1-hydroxyethyl]-30-[(1S)-1-hydroxyethyl]-15,33,36,45-tetrakis(4-hydroxyphenyl)-6-methyl-24-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-9-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecazacyclononatetracont-42-yl]propyl]carbamate is sourced from PubChem (CID 66552381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).