(4R)-3-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-12-[(4-fluorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-1-thia-7,10,13-triazacycloicosane-3-carbonyl]-N-[4-(diaminomethylideneamino)butyl]-1,3-thiazolidine-4-carboxamide;(4R)-3-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-12-(thiophen-2-ylmethyl)-1-thia-7,10,13-triazacycloicosane-3-carbonyl]-N-[(2R)-1-(benzylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1,3-thiazolidine-4-carboxamide;(4R)-3-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-12-(thiophen-2-ylmethyl)-1-thia-7,10,13-triazacycloicosane-3-carbonyl]-N-[4-(diaminomethylideneamino)butyl]-1,3-thiazolidine-4-carboxamide

C139H188Cl3FN28O25S8 — CID 159196830

About (4R)-3-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-12-[(4-fluorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-1-thia-7,10,13-triazacycloicosane-3-carbonyl]-N-[4-(diaminomethylideneamino)butyl]-1,3-thiazolidine-4-carboxamide;(4R)-3-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-12-(thiophen-2-ylmethyl)-1-thia-7,10,13-triazacycloicosane-3-carbonyl]-N-[(2R)-1-(benzylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1,3-thiazolidine-4-carboxamide;(4R)-3-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-12-(thiophen-2-ylmethyl)-1-thia-7,10,13-triazacycloicosane-3-carbonyl]-N-[4-(diaminomethylideneamino)butyl]-1,3-thiazolidine-4-carboxamide

(4R)-3-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-12-[(4-fluorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-1-thia-7,10,13-triazacycloicosane-3-carbonyl]-N-[4-(diaminomethylideneamino)butyl]-1,3-thiazolidine-4-carboxamide;(4R)-3-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-12-(thiophen-2-ylmethyl)-1-thia-7,10,13-triazacycloicosane-3-carbonyl]-N-[(2R)-1-(benzylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1,3-thiazolidine-4-carboxamide;(4R)-3-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-12-(thiophen-2-ylmethyl)-1-thia-7,10,13-triazacycloicosane-3-carbonyl]-N-[4-(diaminomethylideneamino)butyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 159196830) has the molecular formula C139H188Cl3FN28O25S8 and a molecular weight of 3033.10 g/mol. Its IUPAC name is (4R)-3-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-12-[(4-fluorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-1-thia-7,10,13-triazacycloicosane-3-carbonyl]-N-[4-(diaminomethylideneamino)butyl]-1,3-thiazolidine-4-carboxamide;(4R)-3-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-12-(thiophen-2-ylmethyl)-1-thia-7,10,13-triazacycloicosane-3-carbonyl]-N-[(2R)-1-(benzylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1,3-thiazolidine-4-carboxamide;(4R)-3-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-12-(thiophen-2-ylmethyl)-1-thia-7,10,13-triazacycloicosane-3-carbonyl]-N-[4-(diaminomethylideneamino)butyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

• Compound Name: (4R)-3-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-12-[(4-fluorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-1-thia-7,10,13-triazacycloicosane-3-carbonyl]-N-[4-(diaminomethylideneamino)butyl]-1,3-thiazolidine-4-carboxamide;(4R)-3-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-12-(thiophen-2-ylmethyl)-1-thia-7,10,13-triazacycloicosane-3-carbonyl]-N-[(2R)-1-(benzylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1,3-thiazolidine-4-carboxamide;(4R)-3-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-12-(thiophen-2-ylmethyl)-1-thia-7,10,13-triazacycloicosane-3-carbonyl]-N-[4-(diaminomethylideneamino)butyl]-1,3-thiazolidine-4-carboxamide
• PubChem CID: 159196830
• Molecular Formula: C139H188Cl3FN28O25S8
• Molecular Weight: 3033.10 g/mol
• Exact Mass: 3029.11
• IUPAC Name: (4R)-3-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-12-[(4-fluorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-1-thia-7,10,13-triazacycloicosane-3-carbonyl]-N-[4-(diaminomethylideneamino)butyl]-1,3-thiazolidine-4-carboxamide;(4R)-3-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-12-(thiophen-2-ylmethyl)-1-thia-7,10,13-triazacycloicosane-3-carbonyl]-N-[(2R)-1-(benzylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1,3-thiazolidine-4-carboxamide;(4R)-3-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-12-(thiophen-2-ylmethyl)-1-thia-7,10,13-triazacycloicosane-3-carbonyl]-N-[4-(diaminomethylideneamino)butyl]-1,3-thiazolidine-4-carboxamide
• SMILES: CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)CC(=O)CCCSC[C@@H](C(=O)N2CSC[C@H]2C(=O)NCCCCN=C(N)N)CC(=O)[C@H](CC(N)=O)NC1=O.CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)CC(=O)CCCSC[C@@H](C(=O)N2CSC[C@H]2C(=O)NCCCCN=C(N)N)CC(=O)[C@H](CC(N)=O)NC1=O.CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)CC(=O)CCCSC[C@@H](C(=O)N2CSC[C@H]2C(=O)N[C@H](CCCN=C(N)N)C(=O)NCc2ccccc2)CC(=O)[C@H](CC(N)=O)NC1=O
• InChI: InChI=1S/C51H67ClN10O9S3.C45H61ClFN9O8S2.C43H60ClN9O8S3/c1-30(2)44-49(70)59-39(25-43(53)65)42(64)23-34(50(71)62-29-73-28-41(62)48(69)58-38(13-6-18-56-51(54)55)46(67)57-26-32-9-4-3-5-10-32)27-72-19-7-11-36(63)22-33(21-31-14-16-35(52)17-15-31)45(66)60-40(47(68)61-44)24-37-12-8-20-74-37;1-26(2)39-43(63)53-34(22-38(48)59)37(58)21-30(44(64)56-25-66-24-36(56)42(62)51-15-3-4-16-52-45(49)50)23-65-17-5-6-33(57)20-29(18-27-7-11-31(46)12-8-27)40(60)54-35(41(61)55-39)19-28-9-13-32(47)14-10-28;1-25(2)37-41(60)50-32(21-36(45)56)35(55)19-28(42(61)53-24-63-23-34(53)40(59)48-13-3-4-14-49-43(46)47)22-62-15-5-7-30(54)18-27(17-26-9-11-29(44)12-10-26)38(57)51-33(39(58)52-37)20-31-8-6-16-64-31/h3-5,8-10,12,14-17,20,30,33-34,38-41,44H,6-7,11,13,18-19,21-29H2,1-2H3,(H2,53,65)(H,57,67)(H,58,69)(H,59,70)(H,60,66)(H,61,68)(H4,54,55,56);7-14,26,29-30,34-36,39H,3-6,15-25H2,1-2H3,(H2,48,59)(H,51,62)(H,53,63)(H,54,60)(H,55,61)(H4,49,50,52);6,8-12,16,25,27-28,32-34,37H,3-5,7,13-15,17-24H2,1-2H3,(H2,45,56)(H,48,59)(H,50,60)(H,51,57)(H,52,58)(H4,46,47,49)/t33-,34+,38-,39+,40+,41+,44+;29-,30+,34+,35+,36+,39+;27-,28+,32+,33+,34+,37+/m111/s1
• InChIKey: KOTNVRWKTRTSES-FLPDJMCZSA-N
• XLogP: 6.53
• TPSA: 864.12 Ų
• H-Bond Donors: 22
• H-Bond Acceptors: 36
• Rotatable Bonds: 45
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3033.10
LogP ≤ 5	6.53
H-Bond Donors ≤ 5	22
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', '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 (4R)-3-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-12-[(4-fluorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-1-thia-7,10,13-triazacycloicosane-3-carbonyl]-N-[4-(diaminomethylideneamino)butyl]-1,3-thiazolidine-4-carboxamide;(4R)-3-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-12-(thiophen-2-ylmethyl)-1-thia-7,10,13-triazacycloicosane-3-carbonyl]-N-[(2R)-1-(benzylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1,3-thiazolidine-4-carboxamide;(4R)-3-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-12-(thiophen-2-ylmethyl)-1-thia-7,10,13-triazacycloicosane-3-carbonyl]-N-[4-(diaminomethylideneamino)butyl]-1,3-thiazolidine-4-carboxamide?

The IUPAC name of (4R)-3-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-12-[(4-fluorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-1-thia-7,10,13-triazacycloicosane-3-carbonyl]-N-[4-(diaminomethylideneamino)butyl]-1,3-thiazolidine-4-carboxamide;(4R)-3-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-12-(thiophen-2-ylmethyl)-1-thia-7,10,13-triazacycloicosane-3-carbonyl]-N-[(2R)-1-(benzylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1,3-thiazolidine-4-carboxamide;(4R)-3-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-12-(thiophen-2-ylmethyl)-1-thia-7,10,13-triazacycloicosane-3-carbonyl]-N-[4-(diaminomethylideneamino)butyl]-1,3-thiazolidine-4-carboxamide (CID 159196830) is (4R)-3-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-12-[(4-fluorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-1-thia-7,10,13-triazacycloicosane-3-carbonyl]-N-[4-(diaminomethylideneamino)butyl]-1,3-thiazolidine-4-carboxamide;(4R)-3-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-12-(thiophen-2-ylmethyl)-1-thia-7,10,13-triazacycloicosane-3-carbonyl]-N-[(2R)-1-(benzylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1,3-thiazolidine-4-carboxamide;(4R)-3-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-12-(thiophen-2-ylmethyl)-1-thia-7,10,13-triazacycloicosane-3-carbonyl]-N-[4-(diaminomethylideneamino)butyl]-1,3-thiazolidine-4-carboxamide.

What is the SMILES notation for (4R)-3-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-12-[(4-fluorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-1-thia-7,10,13-triazacycloicosane-3-carbonyl]-N-[4-(diaminomethylideneamino)butyl]-1,3-thiazolidine-4-carboxamide;(4R)-3-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-12-(thiophen-2-ylmethyl)-1-thia-7,10,13-triazacycloicosane-3-carbonyl]-N-[(2R)-1-(benzylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1,3-thiazolidine-4-carboxamide;(4R)-3-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-12-(thiophen-2-ylmethyl)-1-thia-7,10,13-triazacycloicosane-3-carbonyl]-N-[4-(diaminomethylideneamino)butyl]-1,3-thiazolidine-4-carboxamide?

The canonical SMILES for (4R)-3-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-12-[(4-fluorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-1-thia-7,10,13-triazacycloicosane-3-carbonyl]-N-[4-(diaminomethylideneamino)butyl]-1,3-thiazolidine-4-carboxamide;(4R)-3-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-12-(thiophen-2-ylmethyl)-1-thia-7,10,13-triazacycloicosane-3-carbonyl]-N-[(2R)-1-(benzylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1,3-thiazolidine-4-carboxamide;(4R)-3-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-12-(thiophen-2-ylmethyl)-1-thia-7,10,13-triazacycloicosane-3-carbonyl]-N-[4-(diaminomethylideneamino)butyl]-1,3-thiazolidine-4-carboxamide is CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)CC(=O)CCCSC[C@@H](C(=O)N2CSC[C@H]2C(=O)NCCCCN=C(N)N)CC(=O)[C@H](CC(N)=O)NC1=O.CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)CC(=O)CCCSC[C@@H](C(=O)N2CSC[C@H]2C(=O)NCCCCN=C(N)N)CC(=O)[C@H](CC(N)=O)NC1=O.CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)CC(=O)CCCSC[C@@H](C(=O)N2CSC[C@H]2C(=O)N[C@H](CCCN=C(N)N)C(=O)NCc2ccccc2)CC(=O)[C@H](CC(N)=O)NC1=O.

What is the InChIKey of (4R)-3-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-12-[(4-fluorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-1-thia-7,10,13-triazacycloicosane-3-carbonyl]-N-[4-(diaminomethylideneamino)butyl]-1,3-thiazolidine-4-carboxamide;(4R)-3-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-12-(thiophen-2-ylmethyl)-1-thia-7,10,13-triazacycloicosane-3-carbonyl]-N-[(2R)-1-(benzylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1,3-thiazolidine-4-carboxamide;(4R)-3-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-12-(thiophen-2-ylmethyl)-1-thia-7,10,13-triazacycloicosane-3-carbonyl]-N-[4-(diaminomethylideneamino)butyl]-1,3-thiazolidine-4-carboxamide?

The InChIKey is KOTNVRWKTRTSES-FLPDJMCZSA-N. The full InChI is InChI=1S/C51H67ClN10O9S3.C45H61ClFN9O8S2.C43H60ClN9O8S3/c1-30(2)44-49(70)59-39(25-43(53)65)42(64)23-34(50(71)62-29-73-28-41(62)48(69)58-38(13-6-18-56-51(54)55)46(67)57-26-32-9-4-3-5-10-32)27-72-19-7-11-36(63)22-33(21-31-14-16-35(52)17-15-31)45(66)60-40(47(68)61-44)24-37-12-8-20-74-37;1-26(2)39-43(63)53-34(22-38(48)59)37(58)21-30(44(64)56-25-66-24-36(56)42(62)51-15-3-4-16-52-45(49)50)23-65-17-5-6-33(57)20-29(18-27-7-11-31(46)12-8-27)40(60)54-35(41(61)55-39)19-28-9-13-32(47)14-10-28;1-25(2)37-41(60)50-32(21-36(45)56)35(55)19-28(42(61)53-24-63-23-34(53)40(59)48-13-3-4-14-49-43(46)47)22-62-15-5-7-30(54)18-27(17-26-9-11-29(44)12-10-26)38(57)51-33(39(58)52-37)20-31-8-6-16-64-31/h3-5,8-10,12,14-17,20,30,33-34,38-41,44H,6-7,11,13,18-19,21-29H2,1-2H3,(H2,53,65)(H,57,67)(H,58,69)(H,59,70)(H,60,66)(H,61,68)(H4,54,55,56);7-14,26,29-30,34-36,39H,3-6,15-25H2,1-2H3,(H2,48,59)(H,51,62)(H,53,63)(H,54,60)(H,55,61)(H4,49,50,52);6,8-12,16,25,27-28,32-34,37H,3-5,7,13-15,17-24H2,1-2H3,(H2,45,56)(H,48,59)(H,50,60)(H,51,57)(H,52,58)(H4,46,47,49)/t33-,34+,38-,39+,40+,41+,44+;29-,30+,34+,35+,36+,39+;27-,28+,32+,33+,34+,37+/m111/s1.

What are the key properties of (4R)-3-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-12-[(4-fluorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-1-thia-7,10,13-triazacycloicosane-3-carbonyl]-N-[4-(diaminomethylideneamino)butyl]-1,3-thiazolidine-4-carboxamide;(4R)-3-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-12-(thiophen-2-ylmethyl)-1-thia-7,10,13-triazacycloicosane-3-carbonyl]-N-[(2R)-1-(benzylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1,3-thiazolidine-4-carboxamide;(4R)-3-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-12-(thiophen-2-ylmethyl)-1-thia-7,10,13-triazacycloicosane-3-carbonyl]-N-[4-(diaminomethylideneamino)butyl]-1,3-thiazolidine-4-carboxamide?

(4R)-3-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-12-[(4-fluorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-1-thia-7,10,13-triazacycloicosane-3-carbonyl]-N-[4-(diaminomethylideneamino)butyl]-1,3-thiazolidine-4-carboxamide;(4R)-3-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-12-(thiophen-2-ylmethyl)-1-thia-7,10,13-triazacycloicosane-3-carbonyl]-N-[(2R)-1-(benzylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1,3-thiazolidine-4-carboxamide;(4R)-3-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-12-(thiophen-2-ylmethyl)-1-thia-7,10,13-triazacycloicosane-3-carbonyl]-N-[4-(diaminomethylideneamino)butyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 3033.10 g/mol, XLogP of 6.53, 45 rotatable bonds, 22 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-3-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-12-[(4-fluorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-1-thia-7,10,13-triazacycloicosane-3-carbonyl]-N-[4-(diaminomethylideneamino)butyl]-1,3-thiazolidine-4-carboxamide;(4R)-3-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-12-(thiophen-2-ylmethyl)-1-thia-7,10,13-triazacycloicosane-3-carbonyl]-N-[(2R)-1-(benzylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1,3-thiazolidine-4-carboxamide;(4R)-3-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-12-(thiophen-2-ylmethyl)-1-thia-7,10,13-triazacycloicosane-3-carbonyl]-N-[4-(diaminomethylideneamino)butyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 159196830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).