[4-[[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-36-(4-carbamoyl-1,3-thiazol-2-yl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-12-yl]methyl]phenyl] acetate;2-[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-12-[(4-hydroxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazole-4-carboxamide;tert-butyl 4-aminobutanoate

C116H109N27O21S12 — CID 160522634

About [4-[[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-36-(4-carbamoyl-1,3-thiazol-2-yl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-12-yl]methyl]phenyl] acetate;2-[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-12-[(4-hydroxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazole-4-carboxamide;tert-butyl 4-aminobutanoate

[4-[[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-36-(4-carbamoyl-1,3-thiazol-2-yl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-12-yl]methyl]phenyl] acetate;2-[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-12-[(4-hydroxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazole-4-carboxamide;tert-butyl 4-aminobutanoate (PubChem CID 160522634) has the molecular formula C116H109N27O21S12 and a molecular weight of 2602.12 g/mol. Its IUPAC name is [4-[[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-36-(4-carbamoyl-1,3-thiazol-2-yl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-12-yl]methyl]phenyl] acetate;2-[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-12-[(4-hydroxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazole-4-carboxamide;tert-butyl 4-aminobutanoate.

Molecular Properties

• Compound Name: [4-[[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-36-(4-carbamoyl-1,3-thiazol-2-yl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-12-yl]methyl]phenyl] acetate;2-[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-12-[(4-hydroxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazole-4-carboxamide;tert-butyl 4-aminobutanoate
• PubChem CID: 160522634
• Molecular Formula: C116H109N27O21S12
• Molecular Weight: 2602.12 g/mol
• Exact Mass: 2599.49
• IUPAC Name: [4-[[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-36-(4-carbamoyl-1,3-thiazol-2-yl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-12-yl]methyl]phenyl] acetate;2-[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-12-[(4-hydroxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazole-4-carboxamide;tert-butyl 4-aminobutanoate
• SMILES: CC(=O)Oc1ccc(C[C@@H]2NC(=O)c3csc(n3)[C@H]([C@H](O)c3ccccc3)NC(=O)c3nc(sc3C)[C@H](CC(N)=O)NC(=O)c3csc(n3)-c3ccc(-c4nc(C(N)=O)cs4)nc3-c3csc(n3)-c3csc(n3)[C@@H]3[C@@H](C)[C@@H](O)CN3C2=O)cc1.CC(C)(C)OC(=O)CCCN.Cc1sc2nc1C(=O)N[C@@H]([C@H](O)c1ccccc1)c1nc(cs1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@H](O)[C@H](C)[C@H]1c1nc(cs1)-c1nc(cs1)-c1nc(-c3nc(C(N)=O)cs3)ccc1-c1nc(cs1)C(=O)N[C@H]2CC(N)=O
• InChI: InChI=1S/C55H47N13O10S6.C53H45N13O9S6.C8H17NO2/c1-23-38(70)17-68-43(23)54-65-37(22-83-54)51-61-33(18-80-51)41-29(13-14-30(58-41)50-62-34(19-81-50)45(57)73)49-63-35(20-79-49)46(74)59-31(16-39(56)71)52-67-40(24(2)84-52)48(76)66-42(44(72)27-7-5-4-6-8-27)53-64-36(21-82-53)47(75)60-32(55(68)77)15-26-9-11-28(12-10-26)78-25(3)69;1-22-36(68)16-66-41(22)52-63-35(21-80-52)49-59-31(17-77-49)39-27(12-13-28(56-39)48-60-32(18-78-48)43(55)71)47-61-33(19-76-47)44(72)57-29(15-37(54)69)50-65-38(23(2)81-50)46(74)64-40(42(70)25-6-4-3-5-7-25)51-62-34(20-79-51)45(73)58-30(53(66)75)14-24-8-10-26(67)11-9-24;1-8(2,3)11-7(10)5-4-6-9/h4-14,18-23,31-32,38,42-44,70,72H,15-17H2,1-3H3,(H2,56,71)(H2,57,73)(H,59,74)(H,60,75)(H,66,76);3-13,17-22,29-30,36,40-42,67-68,70H,14-16H2,1-2H3,(H2,54,69)(H2,55,71)(H,57,72)(H,58,73)(H,64,74);4-6,9H2,1-3H3/t23-,31-,32-,38-,42-,43-,44+;22-,29-,30-,36-,40-,41-,42+;/m00./s1
• InChIKey: QUMBNLNWDWXYOZ-FJCBANGMSA-N
• XLogP: 14.06
• TPSA: 747.81 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 48
• Rotatable Bonds: 20
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2602.12
LogP ≤ 5	14.06
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-36-(4-carbamoyl-1,3-thiazol-2-yl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-12-yl]methyl]phenyl] acetate;2-[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-12-[(4-hydroxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazole-4-carboxamide;tert-butyl 4-aminobutanoate?

The IUPAC name of [4-[[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-36-(4-carbamoyl-1,3-thiazol-2-yl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-12-yl]methyl]phenyl] acetate;2-[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-12-[(4-hydroxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazole-4-carboxamide;tert-butyl 4-aminobutanoate (CID 160522634) is [4-[[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-36-(4-carbamoyl-1,3-thiazol-2-yl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-12-yl]methyl]phenyl] acetate;2-[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-12-[(4-hydroxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazole-4-carboxamide;tert-butyl 4-aminobutanoate.

What is the SMILES notation for [4-[[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-36-(4-carbamoyl-1,3-thiazol-2-yl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-12-yl]methyl]phenyl] acetate;2-[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-12-[(4-hydroxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazole-4-carboxamide;tert-butyl 4-aminobutanoate?

The canonical SMILES for [4-[[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-36-(4-carbamoyl-1,3-thiazol-2-yl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-12-yl]methyl]phenyl] acetate;2-[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-12-[(4-hydroxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazole-4-carboxamide;tert-butyl 4-aminobutanoate is CC(=O)Oc1ccc(C[C@@H]2NC(=O)c3csc(n3)[C@H]([C@H](O)c3ccccc3)NC(=O)c3nc(sc3C)[C@H](CC(N)=O)NC(=O)c3csc(n3)-c3ccc(-c4nc(C(N)=O)cs4)nc3-c3csc(n3)-c3csc(n3)[C@@H]3[C@@H](C)[C@@H](O)CN3C2=O)cc1.CC(C)(C)OC(=O)CCCN.Cc1sc2nc1C(=O)N[C@@H]([C@H](O)c1ccccc1)c1nc(cs1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@H](O)[C@H](C)[C@H]1c1nc(cs1)-c1nc(cs1)-c1nc(-c3nc(C(N)=O)cs3)ccc1-c1nc(cs1)C(=O)N[C@H]2CC(N)=O.

What is the InChIKey of [4-[[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-36-(4-carbamoyl-1,3-thiazol-2-yl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-12-yl]methyl]phenyl] acetate;2-[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-12-[(4-hydroxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazole-4-carboxamide;tert-butyl 4-aminobutanoate?

The InChIKey is QUMBNLNWDWXYOZ-FJCBANGMSA-N. The full InChI is InChI=1S/C55H47N13O10S6.C53H45N13O9S6.C8H17NO2/c1-23-38(70)17-68-43(23)54-65-37(22-83-54)51-61-33(18-80-51)41-29(13-14-30(58-41)50-62-34(19-81-50)45(57)73)49-63-35(20-79-49)46(74)59-31(16-39(56)71)52-67-40(24(2)84-52)48(76)66-42(44(72)27-7-5-4-6-8-27)53-64-36(21-82-53)47(75)60-32(55(68)77)15-26-9-11-28(12-10-26)78-25(3)69;1-22-36(68)16-66-41(22)52-63-35(21-80-52)49-59-31(17-77-49)39-27(12-13-28(56-39)48-60-32(18-78-48)43(55)71)47-61-33(19-76-47)44(72)57-29(15-37(54)69)50-65-38(23(2)81-50)46(74)64-40(42(70)25-6-4-3-5-7-25)51-62-34(20-79-51)45(73)58-30(53(66)75)14-24-8-10-26(67)11-9-24;1-8(2,3)11-7(10)5-4-6-9/h4-14,18-23,31-32,38,42-44,70,72H,15-17H2,1-3H3,(H2,56,71)(H2,57,73)(H,59,74)(H,60,75)(H,66,76);3-13,17-22,29-30,36,40-42,67-68,70H,14-16H2,1-2H3,(H2,54,69)(H2,55,71)(H,57,72)(H,58,73)(H,64,74);4-6,9H2,1-3H3/t23-,31-,32-,38-,42-,43-,44+;22-,29-,30-,36-,40-,41-,42+;/m00./s1.

What are the key properties of [4-[[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-36-(4-carbamoyl-1,3-thiazol-2-yl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-12-yl]methyl]phenyl] acetate;2-[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-12-[(4-hydroxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazole-4-carboxamide;tert-butyl 4-aminobutanoate?

[4-[[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-36-(4-carbamoyl-1,3-thiazol-2-yl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-12-yl]methyl]phenyl] acetate;2-[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-12-[(4-hydroxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazole-4-carboxamide;tert-butyl 4-aminobutanoate has a molecular weight of 2602.12 g/mol, XLogP of 14.06, 20 rotatable bonds, 16 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-36-(4-carbamoyl-1,3-thiazol-2-yl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-12-yl]methyl]phenyl] acetate;2-[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-12-[(4-hydroxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazole-4-carboxamide;tert-butyl 4-aminobutanoate is sourced from PubChem (CID 160522634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).