(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-carboxypropanoyl]amino]-5-oxo-5-[[(1R,6R,9S,12S,15S,21S,24S,27S,30S,33S,36S,39S,45S,48S,53R)-21,24,45-tris(2-amino-2-oxoethyl)-6-[[(2S)-5-carbamimidamido-1-[[(2S)-5-carbamimidamido-1-[[(1S)-4-carbamimidamido-1-carboxybutyl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamoyl]-30-(3-carbamimidamidopropyl)-48-(hydroxymethyl)-12-(1H-imidazol-5-ylmethyl)-36-methyl-8,11,14,20,23,26,29,32,35,38,44,47,50,52-tetradecaoxo-9,27-di(propan-2-yl)-3,4,55,56-tetrathia-7,10,13,19,22,25,28,31,34,37,43,46,49,51-tetradecazatetracyclo[31.17.7.015,19.039,43]heptapentacontan-53-yl]amino]pentanoic acid

C101H168N42O31S4 — CID 166627162

About (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-carboxypropanoyl]amino]-5-oxo-5-[[(1R,6R,9S,12S,15S,21S,24S,27S,30S,33S,36S,39S,45S,48S,53R)-21,24,45-tris(2-amino-2-oxoethyl)-6-[[(2S)-5-carbamimidamido-1-[[(2S)-5-carbamimidamido-1-[[(1S)-4-carbamimidamido-1-carboxybutyl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamoyl]-30-(3-carbamimidamidopropyl)-48-(hydroxymethyl)-12-(1H-imidazol-5-ylmethyl)-36-methyl-8,11,14,20,23,26,29,32,35,38,44,47,50,52-tetradecaoxo-9,27-di(propan-2-yl)-3,4,55,56-tetrathia-7,10,13,19,22,25,28,31,34,37,43,46,49,51-tetradecazatetracyclo[31.17.7.015,19.039,43]heptapentacontan-53-yl]amino]pentanoic acid

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-carboxypropanoyl]amino]-5-oxo-5-[[(1R,6R,9S,12S,15S,21S,24S,27S,30S,33S,36S,39S,45S,48S,53R)-21,24,45-tris(2-amino-2-oxoethyl)-6-[[(2S)-5-carbamimidamido-1-[[(2S)-5-carbamimidamido-1-[[(1S)-4-carbamimidamido-1-carboxybutyl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamoyl]-30-(3-carbamimidamidopropyl)-48-(hydroxymethyl)-12-(1H-imidazol-5-ylmethyl)-36-methyl-8,11,14,20,23,26,29,32,35,38,44,47,50,52-tetradecaoxo-9,27-di(propan-2-yl)-3,4,55,56-tetrathia-7,10,13,19,22,25,28,31,34,37,43,46,49,51-tetradecazatetracyclo[31.17.7.015,19.039,43]heptapentacontan-53-yl]amino]pentanoic acid (PubChem CID 166627162) has the molecular formula C101H168N42O31S4 and a molecular weight of 2594.99 g/mol. Its IUPAC name is (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-carboxypropanoyl]amino]-5-oxo-5-[[(1R,6R,9S,12S,15S,21S,24S,27S,30S,33S,36S,39S,45S,48S,53R)-21,24,45-tris(2-amino-2-oxoethyl)-6-[[(2S)-5-carbamimidamido-1-[[(2S)-5-carbamimidamido-1-[[(1S)-4-carbamimidamido-1-carboxybutyl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamoyl]-30-(3-carbamimidamidopropyl)-48-(hydroxymethyl)-12-(1H-imidazol-5-ylmethyl)-36-methyl-8,11,14,20,23,26,29,32,35,38,44,47,50,52-tetradecaoxo-9,27-di(propan-2-yl)-3,4,55,56-tetrathia-7,10,13,19,22,25,28,31,34,37,43,46,49,51-tetradecazatetracyclo[31.17.7.015,19.039,43]heptapentacontan-53-yl]amino]pentanoic acid.

Molecular Properties

• Compound Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-carboxypropanoyl]amino]-5-oxo-5-[[(1R,6R,9S,12S,15S,21S,24S,27S,30S,33S,36S,39S,45S,48S,53R)-21,24,45-tris(2-amino-2-oxoethyl)-6-[[(2S)-5-carbamimidamido-1-[[(2S)-5-carbamimidamido-1-[[(1S)-4-carbamimidamido-1-carboxybutyl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamoyl]-30-(3-carbamimidamidopropyl)-48-(hydroxymethyl)-12-(1H-imidazol-5-ylmethyl)-36-methyl-8,11,14,20,23,26,29,32,35,38,44,47,50,52-tetradecaoxo-9,27-di(propan-2-yl)-3,4,55,56-tetrathia-7,10,13,19,22,25,28,31,34,37,43,46,49,51-tetradecazatetracyclo[31.17.7.015,19.039,43]heptapentacontan-53-yl]amino]pentanoic acid
• PubChem CID: 166627162
• Molecular Formula: C101H168N42O31S4
• Molecular Weight: 2594.99 g/mol
• Exact Mass: 2593.17
• IUPAC Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-carboxypropanoyl]amino]-5-oxo-5-[[(1R,6R,9S,12S,15S,21S,24S,27S,30S,33S,36S,39S,45S,48S,53R)-21,24,45-tris(2-amino-2-oxoethyl)-6-[[(2S)-5-carbamimidamido-1-[[(2S)-5-carbamimidamido-1-[[(1S)-4-carbamimidamido-1-carboxybutyl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamoyl]-30-(3-carbamimidamidopropyl)-48-(hydroxymethyl)-12-(1H-imidazol-5-ylmethyl)-36-methyl-8,11,14,20,23,26,29,32,35,38,44,47,50,52-tetradecaoxo-9,27-di(propan-2-yl)-3,4,55,56-tetrathia-7,10,13,19,22,25,28,31,34,37,43,46,49,51-tetradecazatetracyclo[31.17.7.015,19.039,43]heptapentacontan-53-yl]amino]pentanoic acid
• SMILES: [H]/N=C(\N)NCCC[C@H](NC(=O)[C@H](CCCN/C(N)=N/[H])NC(=O)[C@H](CCCN/C(N)=N/[H])NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN/C(N)=N/[H])NC(=O)[C@@H](N)[C@@H](C)CC)CSSC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC2=O)C(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](C(C)C)C(=O)N1)C(=O)O
• InChI: InChI=1S/C101H168N42O31S4/c1-8-46(6)72(105)91(168)128-51(18-11-27-119-99(110)111)78(155)130-57(36-71(150)151)82(159)127-53(23-24-70(148)149)79(156)137-63-41-177-175-39-61-85(162)126-52(19-12-28-120-100(112)113)80(157)140-73(44(2)3)92(169)132-56(33-67(102)145)81(158)133-58(34-68(103)146)94(171)143-31-15-22-66(143)90(167)131-55(32-48-37-116-43-122-48)83(160)141-74(45(4)5)93(170)139-64(86(163)125-49(16-9-25-117-97(106)107)76(153)124-50(17-10-26-118-98(108)109)77(154)129-54(96(173)174)20-13-29-121-101(114)115)42-178-176-40-62(138-88(63)165)87(164)135-60(38-144)84(161)134-59(35-69(104)147)95(172)142-30-14-21-65(142)89(166)123-47(7)75(152)136-61/h37,43-47,49-66,72-74,144H,8-36,38-42,105H2,1-7H3,(H2,102,145)(H2,103,146)(H2,104,147)(H,116,122)(H,123,166)(H,124,153)(H,125,163)(H,126,162)(H,127,159)(H,128,168)(H,129,154)(H,130,155)(H,131,167)(H,132,169)(H,133,158)(H,134,161)(H,135,164)(H,136,152)(H,137,156)(H,138,165)(H,139,170)(H,140,157)(H,141,160)(H,148,149)(H,150,151)(H,173,174)(H4,106,107,117)(H4,108,109,118)(H4,110,111,119)(H4,112,113,120)(H4,114,115,121)/t46-,47-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61+,62-,63-,64-,65-,66-,72-,73-,74-/m0/s1
• InChIKey: GZXDJCHURZNMKE-JROJWFROSA-N
• XLogP: -16.00
• TPSA: 1219.12 Ų
• H-Bond Donors: 43
• H-Bond Acceptors: 39
• Rotatable Bonds: 53
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2594.99
LogP ≤ 5	-16.00
H-Bond Donors ≤ 5	43
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-carboxypropanoyl]amino]-5-oxo-5-[[(1R,6R,9S,12S,15S,21S,24S,27S,30S,33S,36S,39S,45S,48S,53R)-21,24,45-tris(2-amino-2-oxoethyl)-6-[[(2S)-5-carbamimidamido-1-[[(2S)-5-carbamimidamido-1-[[(1S)-4-carbamimidamido-1-carboxybutyl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamoyl]-30-(3-carbamimidamidopropyl)-48-(hydroxymethyl)-12-(1H-imidazol-5-ylmethyl)-36-methyl-8,11,14,20,23,26,29,32,35,38,44,47,50,52-tetradecaoxo-9,27-di(propan-2-yl)-3,4,55,56-tetrathia-7,10,13,19,22,25,28,31,34,37,43,46,49,51-tetradecazatetracyclo[31.17.7.015,19.039,43]heptapentacontan-53-yl]amino]pentanoic acid?

The IUPAC name of (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-carboxypropanoyl]amino]-5-oxo-5-[[(1R,6R,9S,12S,15S,21S,24S,27S,30S,33S,36S,39S,45S,48S,53R)-21,24,45-tris(2-amino-2-oxoethyl)-6-[[(2S)-5-carbamimidamido-1-[[(2S)-5-carbamimidamido-1-[[(1S)-4-carbamimidamido-1-carboxybutyl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamoyl]-30-(3-carbamimidamidopropyl)-48-(hydroxymethyl)-12-(1H-imidazol-5-ylmethyl)-36-methyl-8,11,14,20,23,26,29,32,35,38,44,47,50,52-tetradecaoxo-9,27-di(propan-2-yl)-3,4,55,56-tetrathia-7,10,13,19,22,25,28,31,34,37,43,46,49,51-tetradecazatetracyclo[31.17.7.015,19.039,43]heptapentacontan-53-yl]amino]pentanoic acid (CID 166627162) is (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-carboxypropanoyl]amino]-5-oxo-5-[[(1R,6R,9S,12S,15S,21S,24S,27S,30S,33S,36S,39S,45S,48S,53R)-21,24,45-tris(2-amino-2-oxoethyl)-6-[[(2S)-5-carbamimidamido-1-[[(2S)-5-carbamimidamido-1-[[(1S)-4-carbamimidamido-1-carboxybutyl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamoyl]-30-(3-carbamimidamidopropyl)-48-(hydroxymethyl)-12-(1H-imidazol-5-ylmethyl)-36-methyl-8,11,14,20,23,26,29,32,35,38,44,47,50,52-tetradecaoxo-9,27-di(propan-2-yl)-3,4,55,56-tetrathia-7,10,13,19,22,25,28,31,34,37,43,46,49,51-tetradecazatetracyclo[31.17.7.015,19.039,43]heptapentacontan-53-yl]amino]pentanoic acid.

What is the SMILES notation for (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-carboxypropanoyl]amino]-5-oxo-5-[[(1R,6R,9S,12S,15S,21S,24S,27S,30S,33S,36S,39S,45S,48S,53R)-21,24,45-tris(2-amino-2-oxoethyl)-6-[[(2S)-5-carbamimidamido-1-[[(2S)-5-carbamimidamido-1-[[(1S)-4-carbamimidamido-1-carboxybutyl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamoyl]-30-(3-carbamimidamidopropyl)-48-(hydroxymethyl)-12-(1H-imidazol-5-ylmethyl)-36-methyl-8,11,14,20,23,26,29,32,35,38,44,47,50,52-tetradecaoxo-9,27-di(propan-2-yl)-3,4,55,56-tetrathia-7,10,13,19,22,25,28,31,34,37,43,46,49,51-tetradecazatetracyclo[31.17.7.015,19.039,43]heptapentacontan-53-yl]amino]pentanoic acid?

The canonical SMILES for (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-carboxypropanoyl]amino]-5-oxo-5-[[(1R,6R,9S,12S,15S,21S,24S,27S,30S,33S,36S,39S,45S,48S,53R)-21,24,45-tris(2-amino-2-oxoethyl)-6-[[(2S)-5-carbamimidamido-1-[[(2S)-5-carbamimidamido-1-[[(1S)-4-carbamimidamido-1-carboxybutyl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamoyl]-30-(3-carbamimidamidopropyl)-48-(hydroxymethyl)-12-(1H-imidazol-5-ylmethyl)-36-methyl-8,11,14,20,23,26,29,32,35,38,44,47,50,52-tetradecaoxo-9,27-di(propan-2-yl)-3,4,55,56-tetrathia-7,10,13,19,22,25,28,31,34,37,43,46,49,51-tetradecazatetracyclo[31.17.7.015,19.039,43]heptapentacontan-53-yl]amino]pentanoic acid is [H]/N=C(\N)NCCC[C@H](NC(=O)[C@H](CCCN/C(N)=N/[H])NC(=O)[C@H](CCCN/C(N)=N/[H])NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN/C(N)=N/[H])NC(=O)[C@@H](N)[C@@H](C)CC)CSSC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC2=O)C(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](C(C)C)C(=O)N1)C(=O)O.

What is the InChIKey of (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-carboxypropanoyl]amino]-5-oxo-5-[[(1R,6R,9S,12S,15S,21S,24S,27S,30S,33S,36S,39S,45S,48S,53R)-21,24,45-tris(2-amino-2-oxoethyl)-6-[[(2S)-5-carbamimidamido-1-[[(2S)-5-carbamimidamido-1-[[(1S)-4-carbamimidamido-1-carboxybutyl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamoyl]-30-(3-carbamimidamidopropyl)-48-(hydroxymethyl)-12-(1H-imidazol-5-ylmethyl)-36-methyl-8,11,14,20,23,26,29,32,35,38,44,47,50,52-tetradecaoxo-9,27-di(propan-2-yl)-3,4,55,56-tetrathia-7,10,13,19,22,25,28,31,34,37,43,46,49,51-tetradecazatetracyclo[31.17.7.015,19.039,43]heptapentacontan-53-yl]amino]pentanoic acid?

The InChIKey is GZXDJCHURZNMKE-JROJWFROSA-N. The full InChI is InChI=1S/C101H168N42O31S4/c1-8-46(6)72(105)91(168)128-51(18-11-27-119-99(110)111)78(155)130-57(36-71(150)151)82(159)127-53(23-24-70(148)149)79(156)137-63-41-177-175-39-61-85(162)126-52(19-12-28-120-100(112)113)80(157)140-73(44(2)3)92(169)132-56(33-67(102)145)81(158)133-58(34-68(103)146)94(171)143-31-15-22-66(143)90(167)131-55(32-48-37-116-43-122-48)83(160)141-74(45(4)5)93(170)139-64(86(163)125-49(16-9-25-117-97(106)107)76(153)124-50(17-10-26-118-98(108)109)77(154)129-54(96(173)174)20-13-29-121-101(114)115)42-178-176-40-62(138-88(63)165)87(164)135-60(38-144)84(161)134-59(35-69(104)147)95(172)142-30-14-21-65(142)89(166)123-47(7)75(152)136-61/h37,43-47,49-66,72-74,144H,8-36,38-42,105H2,1-7H3,(H2,102,145)(H2,103,146)(H2,104,147)(H,116,122)(H,123,166)(H,124,153)(H,125,163)(H,126,162)(H,127,159)(H,128,168)(H,129,154)(H,130,155)(H,131,167)(H,132,169)(H,133,158)(H,134,161)(H,135,164)(H,136,152)(H,137,156)(H,138,165)(H,139,170)(H,140,157)(H,141,160)(H,148,149)(H,150,151)(H,173,174)(H4,106,107,117)(H4,108,109,118)(H4,110,111,119)(H4,112,113,120)(H4,114,115,121)/t46-,47-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61+,62-,63-,64-,65-,66-,72-,73-,74-/m0/s1.

What are the key properties of (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-carboxypropanoyl]amino]-5-oxo-5-[[(1R,6R,9S,12S,15S,21S,24S,27S,30S,33S,36S,39S,45S,48S,53R)-21,24,45-tris(2-amino-2-oxoethyl)-6-[[(2S)-5-carbamimidamido-1-[[(2S)-5-carbamimidamido-1-[[(1S)-4-carbamimidamido-1-carboxybutyl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamoyl]-30-(3-carbamimidamidopropyl)-48-(hydroxymethyl)-12-(1H-imidazol-5-ylmethyl)-36-methyl-8,11,14,20,23,26,29,32,35,38,44,47,50,52-tetradecaoxo-9,27-di(propan-2-yl)-3,4,55,56-tetrathia-7,10,13,19,22,25,28,31,34,37,43,46,49,51-tetradecazatetracyclo[31.17.7.015,19.039,43]heptapentacontan-53-yl]amino]pentanoic acid?

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-carboxypropanoyl]amino]-5-oxo-5-[[(1R,6R,9S,12S,15S,21S,24S,27S,30S,33S,36S,39S,45S,48S,53R)-21,24,45-tris(2-amino-2-oxoethyl)-6-[[(2S)-5-carbamimidamido-1-[[(2S)-5-carbamimidamido-1-[[(1S)-4-carbamimidamido-1-carboxybutyl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamoyl]-30-(3-carbamimidamidopropyl)-48-(hydroxymethyl)-12-(1H-imidazol-5-ylmethyl)-36-methyl-8,11,14,20,23,26,29,32,35,38,44,47,50,52-tetradecaoxo-9,27-di(propan-2-yl)-3,4,55,56-tetrathia-7,10,13,19,22,25,28,31,34,37,43,46,49,51-tetradecazatetracyclo[31.17.7.015,19.039,43]heptapentacontan-53-yl]amino]pentanoic acid has a molecular weight of 2594.99 g/mol, XLogP of -16.00, 53 rotatable bonds, 43 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-carboxypropanoyl]amino]-5-oxo-5-[[(1R,6R,9S,12S,15S,21S,24S,27S,30S,33S,36S,39S,45S,48S,53R)-21,24,45-tris(2-amino-2-oxoethyl)-6-[[(2S)-5-carbamimidamido-1-[[(2S)-5-carbamimidamido-1-[[(1S)-4-carbamimidamido-1-carboxybutyl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamoyl]-30-(3-carbamimidamidopropyl)-48-(hydroxymethyl)-12-(1H-imidazol-5-ylmethyl)-36-methyl-8,11,14,20,23,26,29,32,35,38,44,47,50,52-tetradecaoxo-9,27-di(propan-2-yl)-3,4,55,56-tetrathia-7,10,13,19,22,25,28,31,34,37,43,46,49,51-tetradecazatetracyclo[31.17.7.015,19.039,43]heptapentacontan-53-yl]amino]pentanoic acid is sourced from PubChem (CID 166627162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).