(2S)-1-[(2S)-3-[3-amino-2-[2-[[2-[(1R,8S,11Z,15S,18S,25S,26R,35R,37S,40S,46S,53S,59S)-37-[(2S)-butan-2-yl]-18-[(2S,3S)-2,3-dihydroxybutan-2-yl]-11-ethylidene-59-hydroxy-8-[(1R)-1-hydroxyethyl]-31-[(1S)-1-hydroxyethyl]-26,40,46-trimethyl-43-methylidene-6,9,16,23,28,38,41,44,47-nonaoxo-27-oxa-3,13,20,56-tetrathia-7,10,17,24,36,39,42,45,48,52,58,61,62,63,64-pentadecazanonacyclo[23.23.9.329,35.12,5.112,15.119,22.154,57.01,53.032,60]tetrahexaconta-2(64),4,12(63),19(62),21,29(61),30,32(60),33,51,54,57-dodecaen-51-yl]-1,3-thiazole-4-carbonyl]amino]prop-2-enoylamino]-3-oxopropyl]sulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acid

C81H100N20O21S6 — CID 73354424

IUPAC(2S)-1-[(2S)-3-[3-amino-2-[2-[[2-[(1R,8S,11Z,15S,18S,25S,26R,35R,37S,40S,46S,53S,59S)-37-[(2S)-butan-2-yl]-18-[(2S,3S)-2,3-dihydroxybutan-2-yl]-11-ethylidene-59-hydroxy-8-[(1R)-1-hydroxyethyl]-31-[(1S)-1-hydroxyethyl]-26,40,46-trimethyl-43-methylidene-6,9,16,23,28,38,41,44,47-nonaoxo-27-oxa-3,13,20,56-tetrathia-7,10,17,24,36,39,42,45,48,52,58,61,62,63,64-pentadecazanonacyclo[23.23.9.329,35.12,5.112,15.119,22.154,57.01,53.032,60]tetrahexaconta-2(64),4,12(63),19(62),21,29(61),30,32(60),33,51,54,57-dodecaen-51-yl]-1,3-thiazole-4-carbonyl]amino]prop-2-enoylamino]-3-oxopropyl]sulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acid
SMILESC=C1NC(=O)C(C)NC(=O)C(C(C)CC)NC2C=Cc3c(C(C)O)cc(nc3C2O)C(=O)OC(C)C2NC(=O)c3csc(n3)C(C(C)(O)C(C)O)NC(=O)C3CSC(=N3)/C(=C\C)NC(=O)C(C(C)O)NC(=O)c3csc(n3)C3(CCC(c4nc(C(=O)NC(=C)C(=O)NC(CSCC(C)C(=O)N5CCCC5C(=O)O)C(N)=O)cs4)=NC3c3csc2n3)NC(=O)C(C)NC1=O
InChIInChI=1S/C81H100N20O21S6/c1-14-31(3)54-70(115)86-34(6)63(108)83-33(5)62(107)84-36(8)65(110)100-81-21-20-45(73-94-49(27-125-73)66(111)85-35(7)64(109)91-48(61(82)106)25-123-24-32(4)76(117)101-22-16-17-53(101)77(118)119)89-59(81)47-26-126-74(92-47)56(39(11)122-78(120)46-23-42(37(9)102)41-18-19-44(87-54)58(105)57(41)88-46)98-67(112)50-29-127-75(95-50)60(80(13,121)40(12)104)99-69(114)51-28-124-72(93-51)43(15-2)90-71(116)55(38(10)103)97-68(113)52-30-128-79(81)96-52/h15,18-19,23,26-27,29-32,34,36-40,44,48,51,53-56,58-60,87,102-105,121H,5,7,14,16-17,20-22,24-25,28H2,1-4,6,8-13H3,(H2,82,106)(H,83,108)(H,84,107)(H,85,111)(H,86,115)(H,90,116)(H,91,109)(H,97,113)(H,98,112)(H,99,114)(H,100,110)(H,118,119)/b43-15-
InChIKeyIUNQHRWFXQKHQN-OBBCGMSGSA-N
MW1882.21 g/mol
LogP1.07
Rot. Bonds18

About (2S)-1-[(2S)-3-[3-amino-2-[2-[[2-[(1R,8S,11Z,15S,18S,25S,26R,35R,37S,40S,46S,53S,59S)-37-[(2S)-butan-2-yl]-18-[(2S,3S)-2,3-dihydroxybutan-2-yl]-11-ethylidene-59-hydroxy-8-[(1R)-1-hydroxyethyl]-31-[(1S)-1-hydroxyethyl]-26,40,46-trimethyl-43-methylidene-6,9,16,23,28,38,41,44,47-nonaoxo-27-oxa-3,13,20,56-tetrathia-7,10,17,24,36,39,42,45,48,52,58,61,62,63,64-pentadecazanonacyclo[23.23.9.329,35.12,5.112,15.119,22.154,57.01,53.032,60]tetrahexaconta-2(64),4,12(63),19(62),21,29(61),30,32(60),33,51,54,57-dodecaen-51-yl]-1,3-thiazole-4-carbonyl]amino]prop-2-enoylamino]-3-oxopropyl]sulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[(2S)-3-[3-amino-2-[2-[[2-[(1R,8S,11Z,15S,18S,25S,26R,35R,37S,40S,46S,53S,59S)-37-[(2S)-butan-2-yl]-18-[(2S,3S)-2,3-dihydroxybutan-2-yl]-11-ethylidene-59-hydroxy-8-[(1R)-1-hydroxyethyl]-31-[(1S)-1-hydroxyethyl]-26,40,46-trimethyl-43-methylidene-6,9,16,23,28,38,41,44,47-nonaoxo-27-oxa-3,13,20,56-tetrathia-7,10,17,24,36,39,42,45,48,52,58,61,62,63,64-pentadecazanonacyclo[23.23.9.329,35.12,5.112,15.119,22.154,57.01,53.032,60]tetrahexaconta-2(64),4,12(63),19(62),21,29(61),30,32(60),33,51,54,57-dodecaen-51-yl]-1,3-thiazole-4-carbonyl]amino]prop-2-enoylamino]-3-oxopropyl]sulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 73354424) has the molecular formula C81H100N20O21S6 and a molecular weight of 1882.21 g/mol. Its IUPAC name is (2S)-1-[(2S)-3-[3-amino-2-[2-[[2-[(1R,8S,11Z,15S,18S,25S,26R,35R,37S,40S,46S,53S,59S)-37-[(2S)-butan-2-yl]-18-[(2S,3S)-2,3-dihydroxybutan-2-yl]-11-ethylidene-59-hydroxy-8-[(1R)-1-hydroxyethyl]-31-[(1S)-1-hydroxyethyl]-26,40,46-trimethyl-43-methylidene-6,9,16,23,28,38,41,44,47-nonaoxo-27-oxa-3,13,20,56-tetrathia-7,10,17,24,36,39,42,45,48,52,58,61,62,63,64-pentadecazanonacyclo[23.23.9.329,35.12,5.112,15.119,22.154,57.01,53.032,60]tetrahexaconta-2(64),4,12(63),19(62),21,29(61),30,32(60),33,51,54,57-dodecaen-51-yl]-1,3-thiazole-4-carbonyl]amino]prop-2-enoylamino]-3-oxopropyl]sulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(2S)-3-[3-amino-2-[2-[[2-[(1R,8S,11Z,15S,18S,25S,26R,35R,37S,40S,46S,53S,59S)-37-[(2S)-butan-2-yl]-18-[(2S,3S)-2,3-dihydroxybutan-2-yl]-11-ethylidene-59-hydroxy-8-[(1R)-1-hydroxyethyl]-31-[(1S)-1-hydroxyethyl]-26,40,46-trimethyl-43-methylidene-6,9,16,23,28,38,41,44,47-nonaoxo-27-oxa-3,13,20,56-tetrathia-7,10,17,24,36,39,42,45,48,52,58,61,62,63,64-pentadecazanonacyclo[23.23.9.329,35.12,5.112,15.119,22.154,57.01,53.032,60]tetrahexaconta-2(64),4,12(63),19(62),21,29(61),30,32(60),33,51,54,57-dodecaen-51-yl]-1,3-thiazole-4-carbonyl]amino]prop-2-enoylamino]-3-oxopropyl]sulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acid
PubChem CID73354424
Molecular FormulaC81H100N20O21S6
Molecular Weight1882.21 g/mol
Exact Mass1880.57
IUPAC Name(2S)-1-[(2S)-3-[3-amino-2-[2-[[2-[(1R,8S,11Z,15S,18S,25S,26R,35R,37S,40S,46S,53S,59S)-37-[(2S)-butan-2-yl]-18-[(2S,3S)-2,3-dihydroxybutan-2-yl]-11-ethylidene-59-hydroxy-8-[(1R)-1-hydroxyethyl]-31-[(1S)-1-hydroxyethyl]-26,40,46-trimethyl-43-methylidene-6,9,16,23,28,38,41,44,47-nonaoxo-27-oxa-3,13,20,56-tetrathia-7,10,17,24,36,39,42,45,48,52,58,61,62,63,64-pentadecazanonacyclo[23.23.9.329,35.12,5.112,15.119,22.154,57.01,53.032,60]tetrahexaconta-2(64),4,12(63),19(62),21,29(61),30,32(60),33,51,54,57-dodecaen-51-yl]-1,3-thiazole-4-carbonyl]amino]prop-2-enoylamino]-3-oxopropyl]sulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acid
SMILESC=C1NC(=O)C(C)NC(=O)C(C(C)CC)NC2C=Cc3c(C(C)O)cc(nc3C2O)C(=O)OC(C)C2NC(=O)c3csc(n3)C(C(C)(O)C(C)O)NC(=O)C3CSC(=N3)/C(=C\C)NC(=O)C(C(C)O)NC(=O)c3csc(n3)C3(CCC(c4nc(C(=O)NC(=C)C(=O)NC(CSCC(C)C(=O)N5CCCC5C(=O)O)C(N)=O)cs4)=NC3c3csc2n3)NC(=O)C(C)NC1=O
InChIInChI=1S/C81H100N20O21S6/c1-14-31(3)54-70(115)86-34(6)63(108)83-33(5)62(107)84-36(8)65(110)100-81-21-20-45(73-94-49(27-125-73)66(111)85-35(7)64(109)91-48(61(82)106)25-123-24-32(4)76(117)101-22-16-17-53(101)77(118)119)89-59(81)47-26-126-74(92-47)56(39(11)122-78(120)46-23-42(37(9)102)41-18-19-44(87-54)58(105)57(41)88-46)98-67(112)50-29-127-75(95-50)60(80(13,121)40(12)104)99-69(114)51-28-124-72(93-51)43(15-2)90-71(116)55(38(10)103)97-68(113)52-30-128-79(81)96-52/h15,18-19,23,26-27,29-32,34,36-40,44,48,51,53-56,58-60,87,102-105,121H,5,7,14,16-17,20-22,24-25,28H2,1-4,6,8-13H3,(H2,82,106)(H,83,108)(H,84,107)(H,85,111)(H,86,115)(H,90,116)(H,91,109)(H,97,113)(H,98,112)(H,99,114)(H,100,110)(H,118,119)/b43-15-
InChIKeyIUNQHRWFXQKHQN-OBBCGMSGSA-N
XLogP1.07
TPSA620.35 Ų
H-Bond Donors18
H-Bond Acceptors34
Rotatable Bonds18
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001882.21
LogP ≤ 51.07
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2S)-1-[(2S)-3-[3-amino-2-[2-[[2-[(1R,8S,11Z,15S,18S,25S,26R,35R,37S,40S,46S,53S,59S)-37-[(2S)-butan-2-yl]-18-[(2S,3S)-2,3-dihydroxybutan-2-yl]-11-ethylidene-59-hydroxy-8-[(1R)-1-hydroxyethyl]-31-[(1S)-1-hydroxyethyl]-26,40,46-trimethyl-43-methylidene-6,9,16,23,28,38,41,44,47-nonaoxo-27-oxa-3,13,20,56-tetrathia-7,10,17,24,36,39,42,45,48,52,58,61,62,63,64-pentadecazanonacyclo[23.23.9.329,35.12,5.112,15.119,22.154,57.01,53.032,60]tetrahexaconta-2(64),4,12(63),19(62),21,29(61),30,32(60),33,51,54,57-dodecaen-51-yl]-1,3-thiazole-4-carbonyl]amino]prop-2-enoylamino]-3-oxopropyl]sulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-3-[3-amino-2-[2-[[2-[(1R,8S,11Z,15S,18S,25S,26R,35R,37S,40S,46S,53S,59S)-37-[(2S)-butan-2-yl]-18-[(2S,3S)-2,3-dihydroxybutan-2-yl]-11-ethylidene-59-hydroxy-8-[(1R)-1-hydroxyethyl]-31-[(1S)-1-hydroxyethyl]-26,40,46-trimethyl-43-methylidene-6,9,16,23,28,38,41,44,47-nonaoxo-27-oxa-3,13,20,56-tetrathia-7,10,17,24,36,39,42,45,48,52,58,61,62,63,64-pentadecazanonacyclo[23.23.9.329,35.12,5.112,15.119,22.154,57.01,53.032,60]tetrahexaconta-2(64),4,12(63),19(62),21,29(61),30,32(60),33,51,54,57-dodecaen-51-yl]-1,3-thiazole-4-carbonyl]amino]prop-2-enoylamino]-3-oxopropyl]sulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(2S)-3-[3-amino-2-[2-[[2-[(1R,8S,11Z,15S,18S,25S,26R,35R,37S,40S,46S,53S,59S)-37-[(2S)-butan-2-yl]-18-[(2S,3S)-2,3-dihydroxybutan-2-yl]-11-ethylidene-59-hydroxy-8-[(1R)-1-hydroxyethyl]-31-[(1S)-1-hydroxyethyl]-26,40,46-trimethyl-43-methylidene-6,9,16,23,28,38,41,44,47-nonaoxo-27-oxa-3,13,20,56-tetrathia-7,10,17,24,36,39,42,45,48,52,58,61,62,63,64-pentadecazanonacyclo[23.23.9.329,35.12,5.112,15.119,22.154,57.01,53.032,60]tetrahexaconta-2(64),4,12(63),19(62),21,29(61),30,32(60),33,51,54,57-dodecaen-51-yl]-1,3-thiazole-4-carbonyl]amino]prop-2-enoylamino]-3-oxopropyl]sulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acid (CID 73354424) is (2S)-1-[(2S)-3-[3-amino-2-[2-[[2-[(1R,8S,11Z,15S,18S,25S,26R,35R,37S,40S,46S,53S,59S)-37-[(2S)-butan-2-yl]-18-[(2S,3S)-2,3-dihydroxybutan-2-yl]-11-ethylidene-59-hydroxy-8-[(1R)-1-hydroxyethyl]-31-[(1S)-1-hydroxyethyl]-26,40,46-trimethyl-43-methylidene-6,9,16,23,28,38,41,44,47-nonaoxo-27-oxa-3,13,20,56-tetrathia-7,10,17,24,36,39,42,45,48,52,58,61,62,63,64-pentadecazanonacyclo[23.23.9.329,35.12,5.112,15.119,22.154,57.01,53.032,60]tetrahexaconta-2(64),4,12(63),19(62),21,29(61),30,32(60),33,51,54,57-dodecaen-51-yl]-1,3-thiazole-4-carbonyl]amino]prop-2-enoylamino]-3-oxopropyl]sulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(2S)-3-[3-amino-2-[2-[[2-[(1R,8S,11Z,15S,18S,25S,26R,35R,37S,40S,46S,53S,59S)-37-[(2S)-butan-2-yl]-18-[(2S,3S)-2,3-dihydroxybutan-2-yl]-11-ethylidene-59-hydroxy-8-[(1R)-1-hydroxyethyl]-31-[(1S)-1-hydroxyethyl]-26,40,46-trimethyl-43-methylidene-6,9,16,23,28,38,41,44,47-nonaoxo-27-oxa-3,13,20,56-tetrathia-7,10,17,24,36,39,42,45,48,52,58,61,62,63,64-pentadecazanonacyclo[23.23.9.329,35.12,5.112,15.119,22.154,57.01,53.032,60]tetrahexaconta-2(64),4,12(63),19(62),21,29(61),30,32(60),33,51,54,57-dodecaen-51-yl]-1,3-thiazole-4-carbonyl]amino]prop-2-enoylamino]-3-oxopropyl]sulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(2S)-3-[3-amino-2-[2-[[2-[(1R,8S,11Z,15S,18S,25S,26R,35R,37S,40S,46S,53S,59S)-37-[(2S)-butan-2-yl]-18-[(2S,3S)-2,3-dihydroxybutan-2-yl]-11-ethylidene-59-hydroxy-8-[(1R)-1-hydroxyethyl]-31-[(1S)-1-hydroxyethyl]-26,40,46-trimethyl-43-methylidene-6,9,16,23,28,38,41,44,47-nonaoxo-27-oxa-3,13,20,56-tetrathia-7,10,17,24,36,39,42,45,48,52,58,61,62,63,64-pentadecazanonacyclo[23.23.9.329,35.12,5.112,15.119,22.154,57.01,53.032,60]tetrahexaconta-2(64),4,12(63),19(62),21,29(61),30,32(60),33,51,54,57-dodecaen-51-yl]-1,3-thiazole-4-carbonyl]amino]prop-2-enoylamino]-3-oxopropyl]sulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acid is C=C1NC(=O)C(C)NC(=O)C(C(C)CC)NC2C=Cc3c(C(C)O)cc(nc3C2O)C(=O)OC(C)C2NC(=O)c3csc(n3)C(C(C)(O)C(C)O)NC(=O)C3CSC(=N3)/C(=C\C)NC(=O)C(C(C)O)NC(=O)c3csc(n3)C3(CCC(c4nc(C(=O)NC(=C)C(=O)NC(CSCC(C)C(=O)N5CCCC5C(=O)O)C(N)=O)cs4)=NC3c3csc2n3)NC(=O)C(C)NC1=O.
What is the InChIKey of (2S)-1-[(2S)-3-[3-amino-2-[2-[[2-[(1R,8S,11Z,15S,18S,25S,26R,35R,37S,40S,46S,53S,59S)-37-[(2S)-butan-2-yl]-18-[(2S,3S)-2,3-dihydroxybutan-2-yl]-11-ethylidene-59-hydroxy-8-[(1R)-1-hydroxyethyl]-31-[(1S)-1-hydroxyethyl]-26,40,46-trimethyl-43-methylidene-6,9,16,23,28,38,41,44,47-nonaoxo-27-oxa-3,13,20,56-tetrathia-7,10,17,24,36,39,42,45,48,52,58,61,62,63,64-pentadecazanonacyclo[23.23.9.329,35.12,5.112,15.119,22.154,57.01,53.032,60]tetrahexaconta-2(64),4,12(63),19(62),21,29(61),30,32(60),33,51,54,57-dodecaen-51-yl]-1,3-thiazole-4-carbonyl]amino]prop-2-enoylamino]-3-oxopropyl]sulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is IUNQHRWFXQKHQN-OBBCGMSGSA-N. The full InChI is InChI=1S/C81H100N20O21S6/c1-14-31(3)54-70(115)86-34(6)63(108)83-33(5)62(107)84-36(8)65(110)100-81-21-20-45(73-94-49(27-125-73)66(111)85-35(7)64(109)91-48(61(82)106)25-123-24-32(4)76(117)101-22-16-17-53(101)77(118)119)89-59(81)47-26-126-74(92-47)56(39(11)122-78(120)46-23-42(37(9)102)41-18-19-44(87-54)58(105)57(41)88-46)98-67(112)50-29-127-75(95-50)60(80(13,121)40(12)104)99-69(114)51-28-124-72(93-51)43(15-2)90-71(116)55(38(10)103)97-68(113)52-30-128-79(81)96-52/h15,18-19,23,26-27,29-32,34,36-40,44,48,51,53-56,58-60,87,102-105,121H,5,7,14,16-17,20-22,24-25,28H2,1-4,6,8-13H3,(H2,82,106)(H,83,108)(H,84,107)(H,85,111)(H,86,115)(H,90,116)(H,91,109)(H,97,113)(H,98,112)(H,99,114)(H,100,110)(H,118,119)/b43-15-.
What are the key properties of (2S)-1-[(2S)-3-[3-amino-2-[2-[[2-[(1R,8S,11Z,15S,18S,25S,26R,35R,37S,40S,46S,53S,59S)-37-[(2S)-butan-2-yl]-18-[(2S,3S)-2,3-dihydroxybutan-2-yl]-11-ethylidene-59-hydroxy-8-[(1R)-1-hydroxyethyl]-31-[(1S)-1-hydroxyethyl]-26,40,46-trimethyl-43-methylidene-6,9,16,23,28,38,41,44,47-nonaoxo-27-oxa-3,13,20,56-tetrathia-7,10,17,24,36,39,42,45,48,52,58,61,62,63,64-pentadecazanonacyclo[23.23.9.329,35.12,5.112,15.119,22.154,57.01,53.032,60]tetrahexaconta-2(64),4,12(63),19(62),21,29(61),30,32(60),33,51,54,57-dodecaen-51-yl]-1,3-thiazole-4-carbonyl]amino]prop-2-enoylamino]-3-oxopropyl]sulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[(2S)-3-[3-amino-2-[2-[[2-[(1R,8S,11Z,15S,18S,25S,26R,35R,37S,40S,46S,53S,59S)-37-[(2S)-butan-2-yl]-18-[(2S,3S)-2,3-dihydroxybutan-2-yl]-11-ethylidene-59-hydroxy-8-[(1R)-1-hydroxyethyl]-31-[(1S)-1-hydroxyethyl]-26,40,46-trimethyl-43-methylidene-6,9,16,23,28,38,41,44,47-nonaoxo-27-oxa-3,13,20,56-tetrathia-7,10,17,24,36,39,42,45,48,52,58,61,62,63,64-pentadecazanonacyclo[23.23.9.329,35.12,5.112,15.119,22.154,57.01,53.032,60]tetrahexaconta-2(64),4,12(63),19(62),21,29(61),30,32(60),33,51,54,57-dodecaen-51-yl]-1,3-thiazole-4-carbonyl]amino]prop-2-enoylamino]-3-oxopropyl]sulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 1882.21 g/mol, XLogP of 1.07, 18 rotatable bonds, 18 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-3-[3-amino-2-[2-[[2-[(1R,8S,11Z,15S,18S,25S,26R,35R,37S,40S,46S,53S,59S)-37-[(2S)-butan-2-yl]-18-[(2S,3S)-2,3-dihydroxybutan-2-yl]-11-ethylidene-59-hydroxy-8-[(1R)-1-hydroxyethyl]-31-[(1S)-1-hydroxyethyl]-26,40,46-trimethyl-43-methylidene-6,9,16,23,28,38,41,44,47-nonaoxo-27-oxa-3,13,20,56-tetrathia-7,10,17,24,36,39,42,45,48,52,58,61,62,63,64-pentadecazanonacyclo[23.23.9.329,35.12,5.112,15.119,22.154,57.01,53.032,60]tetrahexaconta-2(64),4,12(63),19(62),21,29(61),30,32(60),33,51,54,57-dodecaen-51-yl]-1,3-thiazole-4-carbonyl]amino]prop-2-enoylamino]-3-oxopropyl]sulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 73354424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).