(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-5-[[(2S)-1-[(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-9-(dimethylamino)-4-oxononanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-5-[[(2R)-2-(2-carboxyethyl)-4-oxo-4-phenylmethoxybutanoyl]amino]-9-(dimethylamino)-4-oxononanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-9-(dimethylamino)-5-[[(2R)-2-(1H-imidazol-5-ylmethyl)-4-oxo-4-phenylmethoxybutanoyl]amino]-4-oxononanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-9-(dimethylamino)-4-oxo-5-[[(1R)-2-phenylmethoxycarbonylcyclopentanecarbonyl]amino]nonanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid

C165H215N29O32S8 — CID 158816682

About (4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-5-[[(2S)-1-[(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-9-(dimethylamino)-4-oxononanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-5-[[(2R)-2-(2-carboxyethyl)-4-oxo-4-phenylmethoxybutanoyl]amino]-9-(dimethylamino)-4-oxononanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-9-(dimethylamino)-5-[[(2R)-2-(1H-imidazol-5-ylmethyl)-4-oxo-4-phenylmethoxybutanoyl]amino]-4-oxononanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-9-(dimethylamino)-4-oxo-5-[[(1R)-2-phenylmethoxycarbonylcyclopentanecarbonyl]amino]nonanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid

(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-5-[[(2S)-1-[(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-9-(dimethylamino)-4-oxononanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-5-[[(2R)-2-(2-carboxyethyl)-4-oxo-4-phenylmethoxybutanoyl]amino]-9-(dimethylamino)-4-oxononanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-9-(dimethylamino)-5-[[(2R)-2-(1H-imidazol-5-ylmethyl)-4-oxo-4-phenylmethoxybutanoyl]amino]-4-oxononanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-9-(dimethylamino)-4-oxo-5-[[(1R)-2-phenylmethoxycarbonylcyclopentanecarbonyl]amino]nonanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid (PubChem CID 158816682) has the molecular formula C165H215N29O32S8 and a molecular weight of 3373.24 g/mol. Its IUPAC name is (4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-5-[[(2S)-1-[(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-9-(dimethylamino)-4-oxononanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-5-[[(2R)-2-(2-carboxyethyl)-4-oxo-4-phenylmethoxybutanoyl]amino]-9-(dimethylamino)-4-oxononanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-9-(dimethylamino)-5-[[(2R)-2-(1H-imidazol-5-ylmethyl)-4-oxo-4-phenylmethoxybutanoyl]amino]-4-oxononanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-9-(dimethylamino)-4-oxo-5-[[(1R)-2-phenylmethoxycarbonylcyclopentanecarbonyl]amino]nonanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid.

Molecular Properties

• Compound Name: (4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-5-[[(2S)-1-[(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-9-(dimethylamino)-4-oxononanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-5-[[(2R)-2-(2-carboxyethyl)-4-oxo-4-phenylmethoxybutanoyl]amino]-9-(dimethylamino)-4-oxononanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-9-(dimethylamino)-5-[[(2R)-2-(1H-imidazol-5-ylmethyl)-4-oxo-4-phenylmethoxybutanoyl]amino]-4-oxononanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-9-(dimethylamino)-4-oxo-5-[[(1R)-2-phenylmethoxycarbonylcyclopentanecarbonyl]amino]nonanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
• PubChem CID: 158816682
• Molecular Formula: C165H215N29O32S8
• Molecular Weight: 3373.24 g/mol
• Exact Mass: 3370.39
• IUPAC Name: (4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-5-[[(2S)-1-[(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-9-(dimethylamino)-4-oxononanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-5-[[(2R)-2-(2-carboxyethyl)-4-oxo-4-phenylmethoxybutanoyl]amino]-9-(dimethylamino)-4-oxononanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-9-(dimethylamino)-5-[[(2R)-2-(1H-imidazol-5-ylmethyl)-4-oxo-4-phenylmethoxybutanoyl]amino]-4-oxononanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-9-(dimethylamino)-4-oxo-5-[[(1R)-2-phenylmethoxycarbonylcyclopentanecarbonyl]amino]nonanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
• SMILES: CN(C)CCCC[C@H](NC(=O)C(CCC(=O)O)CC(=O)OCc1ccccc1)C(=O)C[C@@H](CCCCN)C(=O)Nc1ccc2nc(C3=N[C@@H](C(=O)O)CS3)sc2c1.CN(C)CCCC[C@H](NC(=O)[C@@H](CC(=O)OCc1ccccc1)Cc1cnc[nH]1)C(=O)C[C@@H](CCCCN)C(=O)Nc1ccc2nc(C3=N[C@@H](C(=O)O)CS3)sc2c1.CN(C)CCCC[C@H](NC(=O)[C@@H]1CCCC1C(=O)OCc1ccccc1)C(=O)C[C@@H](CCCCN)C(=O)Nc1ccc2nc(C3=N[C@@H](C(=O)O)CS3)sc2c1.CN(C)CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1)C(=O)C[C@@H](CCCCN)C(=O)Nc1ccc2nc(C3=N[C@@H](C(=O)O)CS3)sc2c1
• InChI: InChI=1S/C44H59N9O9S2.C41H52N8O7S2.C40H52N6O9S2.C40H52N6O7S2/c1-52(2)21-9-7-14-30(48-39(57)34-15-10-22-53(34)42(58)32(18-19-37(46)55)51-44(61)62-25-27-11-4-3-5-12-27)35(54)23-28(13-6-8-20-45)38(56)47-29-16-17-31-36(24-29)64-41(49-31)40-50-33(26-63-40)43(59)60;1-49(2)17-9-7-13-31(46-38(53)28(18-30-22-43-25-44-30)20-36(51)56-23-26-10-4-3-5-11-26)34(50)19-27(12-6-8-16-42)37(52)45-29-14-15-32-35(21-29)58-40(47-32)39-48-33(24-57-39)41(54)55;1-46(2)19-9-7-13-29(43-37(52)27(14-17-34(48)49)21-35(50)55-23-25-10-4-3-5-11-25)32(47)20-26(12-6-8-18-41)36(51)42-28-15-16-30-33(22-28)57-39(44-30)38-45-31(24-56-38)40(53)54;1-46(2)20-9-7-16-30(43-36(49)28-14-10-15-29(28)40(52)53-23-25-11-4-3-5-12-25)33(47)21-26(13-6-8-19-41)35(48)42-27-17-18-31-34(22-27)55-38(44-31)37-45-32(24-54-37)39(50)51/h3-5,11-12,16-17,24,28,30,32-34H,6-10,13-15,18-23,25-26,45H2,1-2H3,(H2,46,55)(H,47,56)(H,48,57)(H,51,61)(H,59,60);3-5,10-11,14-15,21-22,25,27-28,31,33H,6-9,12-13,16-20,23-24,42H2,1-2H3,(H,43,44)(H,45,52)(H,46,53)(H,54,55);3-5,10-11,15-16,22,26-27,29,31H,6-9,12-14,17-21,23-24,41H2,1-2H3,(H,42,51)(H,43,52)(H,48,49)(H,53,54);3-5,11-12,17-18,22,26,28-30,32H,6-10,13-16,19-21,23-24,41H2,1-2H3,(H,42,48)(H,43,49)(H,50,51)/t28-,30+,32+,33-,34+;27-,28-,31+,33-;26-,27?,29+,31-;26-,28-,29?,30+,32-/m1111/s1
• InChIKey: IVIYTVAWZFIEHA-XPYWVPJOSA-N
• XLogP: 18.45
• TPSA: 914.93 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 52
• Rotatable Bonds: 95
• Heavy Atoms: 234
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3373.24
LogP ≤ 5	18.45
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	52

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 (4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-5-[[(2S)-1-[(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-9-(dimethylamino)-4-oxononanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-5-[[(2R)-2-(2-carboxyethyl)-4-oxo-4-phenylmethoxybutanoyl]amino]-9-(dimethylamino)-4-oxononanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-9-(dimethylamino)-5-[[(2R)-2-(1H-imidazol-5-ylmethyl)-4-oxo-4-phenylmethoxybutanoyl]amino]-4-oxononanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-9-(dimethylamino)-4-oxo-5-[[(1R)-2-phenylmethoxycarbonylcyclopentanecarbonyl]amino]nonanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid?

The IUPAC name of (4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-5-[[(2S)-1-[(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-9-(dimethylamino)-4-oxononanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-5-[[(2R)-2-(2-carboxyethyl)-4-oxo-4-phenylmethoxybutanoyl]amino]-9-(dimethylamino)-4-oxononanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-9-(dimethylamino)-5-[[(2R)-2-(1H-imidazol-5-ylmethyl)-4-oxo-4-phenylmethoxybutanoyl]amino]-4-oxononanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-9-(dimethylamino)-4-oxo-5-[[(1R)-2-phenylmethoxycarbonylcyclopentanecarbonyl]amino]nonanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid (CID 158816682) is (4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-5-[[(2S)-1-[(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-9-(dimethylamino)-4-oxononanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-5-[[(2R)-2-(2-carboxyethyl)-4-oxo-4-phenylmethoxybutanoyl]amino]-9-(dimethylamino)-4-oxononanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-9-(dimethylamino)-5-[[(2R)-2-(1H-imidazol-5-ylmethyl)-4-oxo-4-phenylmethoxybutanoyl]amino]-4-oxononanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-9-(dimethylamino)-4-oxo-5-[[(1R)-2-phenylmethoxycarbonylcyclopentanecarbonyl]amino]nonanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid.

What is the SMILES notation for (4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-5-[[(2S)-1-[(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-9-(dimethylamino)-4-oxononanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-5-[[(2R)-2-(2-carboxyethyl)-4-oxo-4-phenylmethoxybutanoyl]amino]-9-(dimethylamino)-4-oxononanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-9-(dimethylamino)-5-[[(2R)-2-(1H-imidazol-5-ylmethyl)-4-oxo-4-phenylmethoxybutanoyl]amino]-4-oxononanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-9-(dimethylamino)-4-oxo-5-[[(1R)-2-phenylmethoxycarbonylcyclopentanecarbonyl]amino]nonanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid?

The canonical SMILES for (4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-5-[[(2S)-1-[(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-9-(dimethylamino)-4-oxononanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-5-[[(2R)-2-(2-carboxyethyl)-4-oxo-4-phenylmethoxybutanoyl]amino]-9-(dimethylamino)-4-oxononanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-9-(dimethylamino)-5-[[(2R)-2-(1H-imidazol-5-ylmethyl)-4-oxo-4-phenylmethoxybutanoyl]amino]-4-oxononanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-9-(dimethylamino)-4-oxo-5-[[(1R)-2-phenylmethoxycarbonylcyclopentanecarbonyl]amino]nonanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid is CN(C)CCCC[C@H](NC(=O)C(CCC(=O)O)CC(=O)OCc1ccccc1)C(=O)C[C@@H](CCCCN)C(=O)Nc1ccc2nc(C3=N[C@@H](C(=O)O)CS3)sc2c1.CN(C)CCCC[C@H](NC(=O)[C@@H](CC(=O)OCc1ccccc1)Cc1cnc[nH]1)C(=O)C[C@@H](CCCCN)C(=O)Nc1ccc2nc(C3=N[C@@H](C(=O)O)CS3)sc2c1.CN(C)CCCC[C@H](NC(=O)[C@@H]1CCCC1C(=O)OCc1ccccc1)C(=O)C[C@@H](CCCCN)C(=O)Nc1ccc2nc(C3=N[C@@H](C(=O)O)CS3)sc2c1.CN(C)CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1)C(=O)C[C@@H](CCCCN)C(=O)Nc1ccc2nc(C3=N[C@@H](C(=O)O)CS3)sc2c1.

What is the InChIKey of (4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-5-[[(2S)-1-[(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-9-(dimethylamino)-4-oxononanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-5-[[(2R)-2-(2-carboxyethyl)-4-oxo-4-phenylmethoxybutanoyl]amino]-9-(dimethylamino)-4-oxononanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-9-(dimethylamino)-5-[[(2R)-2-(1H-imidazol-5-ylmethyl)-4-oxo-4-phenylmethoxybutanoyl]amino]-4-oxononanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-9-(dimethylamino)-4-oxo-5-[[(1R)-2-phenylmethoxycarbonylcyclopentanecarbonyl]amino]nonanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid?

The InChIKey is IVIYTVAWZFIEHA-XPYWVPJOSA-N. The full InChI is InChI=1S/C44H59N9O9S2.C41H52N8O7S2.C40H52N6O9S2.C40H52N6O7S2/c1-52(2)21-9-7-14-30(48-39(57)34-15-10-22-53(34)42(58)32(18-19-37(46)55)51-44(61)62-25-27-11-4-3-5-12-27)35(54)23-28(13-6-8-20-45)38(56)47-29-16-17-31-36(24-29)64-41(49-31)40-50-33(26-63-40)43(59)60;1-49(2)17-9-7-13-31(46-38(53)28(18-30-22-43-25-44-30)20-36(51)56-23-26-10-4-3-5-11-26)34(50)19-27(12-6-8-16-42)37(52)45-29-14-15-32-35(21-29)58-40(47-32)39-48-33(24-57-39)41(54)55;1-46(2)19-9-7-13-29(43-37(52)27(14-17-34(48)49)21-35(50)55-23-25-10-4-3-5-11-25)32(47)20-26(12-6-8-18-41)36(51)42-28-15-16-30-33(22-28)57-39(44-30)38-45-31(24-56-38)40(53)54;1-46(2)20-9-7-16-30(43-36(49)28-14-10-15-29(28)40(52)53-23-25-11-4-3-5-12-25)33(47)21-26(13-6-8-19-41)35(48)42-27-17-18-31-34(22-27)55-38(44-31)37-45-32(24-54-37)39(50)51/h3-5,11-12,16-17,24,28,30,32-34H,6-10,13-15,18-23,25-26,45H2,1-2H3,(H2,46,55)(H,47,56)(H,48,57)(H,51,61)(H,59,60);3-5,10-11,14-15,21-22,25,27-28,31,33H,6-9,12-13,16-20,23-24,42H2,1-2H3,(H,43,44)(H,45,52)(H,46,53)(H,54,55);3-5,10-11,15-16,22,26-27,29,31H,6-9,12-14,17-21,23-24,41H2,1-2H3,(H,42,51)(H,43,52)(H,48,49)(H,53,54);3-5,11-12,17-18,22,26,28-30,32H,6-10,13-16,19-21,23-24,41H2,1-2H3,(H,42,48)(H,43,49)(H,50,51)/t28-,30+,32+,33-,34+;27-,28-,31+,33-;26-,27?,29+,31-;26-,28-,29?,30+,32-/m1111/s1.

What are the key properties of (4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-5-[[(2S)-1-[(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-9-(dimethylamino)-4-oxononanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-5-[[(2R)-2-(2-carboxyethyl)-4-oxo-4-phenylmethoxybutanoyl]amino]-9-(dimethylamino)-4-oxononanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-9-(dimethylamino)-5-[[(2R)-2-(1H-imidazol-5-ylmethyl)-4-oxo-4-phenylmethoxybutanoyl]amino]-4-oxononanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-9-(dimethylamino)-4-oxo-5-[[(1R)-2-phenylmethoxycarbonylcyclopentanecarbonyl]amino]nonanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid?

(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-5-[[(2S)-1-[(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-9-(dimethylamino)-4-oxononanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-5-[[(2R)-2-(2-carboxyethyl)-4-oxo-4-phenylmethoxybutanoyl]amino]-9-(dimethylamino)-4-oxononanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-9-(dimethylamino)-5-[[(2R)-2-(1H-imidazol-5-ylmethyl)-4-oxo-4-phenylmethoxybutanoyl]amino]-4-oxononanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-9-(dimethylamino)-4-oxo-5-[[(1R)-2-phenylmethoxycarbonylcyclopentanecarbonyl]amino]nonanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid has a molecular weight of 3373.24 g/mol, XLogP of 18.45, 95 rotatable bonds, 20 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-5-[[(2S)-1-[(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-9-(dimethylamino)-4-oxononanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-5-[[(2R)-2-(2-carboxyethyl)-4-oxo-4-phenylmethoxybutanoyl]amino]-9-(dimethylamino)-4-oxononanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-9-(dimethylamino)-5-[[(2R)-2-(1H-imidazol-5-ylmethyl)-4-oxo-4-phenylmethoxybutanoyl]amino]-4-oxononanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;(4S)-2-[6-[[(2R,5S)-2-(4-aminobutyl)-9-(dimethylamino)-4-oxo-5-[[(1R)-2-phenylmethoxycarbonylcyclopentanecarbonyl]amino]nonanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 158816682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).