2-(2-aminoethoxy)ethyl N-[[(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoyl]amino]carbamate;2-(2-azidoethoxy)ethyl N-[[(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoyl]amino]carbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl (2R)-2-[(3S,4S)-3-[[(1R,3R)-1-[4-[[(2R,4S)-1-(4-hydroxyphenyl)-5-methoxy-4-methyl-5-oxopentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methyl-1-propoxypentan-3-yl]-propylcarbamoyl]-4-methylhexanoyl]piperidine-1-carboxylate;N-[(2R,4S)-1-(4-hydroxyphenyl)-4-(4H-triazol-5-yl)pentan-2-yl]-2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carboxamide;2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-oxo-2-[(2R)-piperidin-2-yl]ethyl]pentanoyl]-propylamino]-1-propoxypentyl]-N-[(2R,4S)-1-phenyl-4-(4H-triazol-5-yl)pentan-2-yl]-1,3-thiazole-4-carboxamide

C251H389N39O42S5 — CID 160868862

About 2-(2-aminoethoxy)ethyl N-[[(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoyl]amino]carbamate;2-(2-azidoethoxy)ethyl N-[[(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoyl]amino]carbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl (2R)-2-[(3S,4S)-3-[[(1R,3R)-1-[4-[[(2R,4S)-1-(4-hydroxyphenyl)-5-methoxy-4-methyl-5-oxopentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methyl-1-propoxypentan-3-yl]-propylcarbamoyl]-4-methylhexanoyl]piperidine-1-carboxylate;N-[(2R,4S)-1-(4-hydroxyphenyl)-4-(4H-triazol-5-yl)pentan-2-yl]-2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carboxamide;2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-oxo-2-[(2R)-piperidin-2-yl]ethyl]pentanoyl]-propylamino]-1-propoxypentyl]-N-[(2R,4S)-1-phenyl-4-(4H-triazol-5-yl)pentan-2-yl]-1,3-thiazole-4-carboxamide

2-(2-aminoethoxy)ethyl N-[[(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoyl]amino]carbamate;2-(2-azidoethoxy)ethyl N-[[(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoyl]amino]carbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl (2R)-2-[(3S,4S)-3-[[(1R,3R)-1-[4-[[(2R,4S)-1-(4-hydroxyphenyl)-5-methoxy-4-methyl-5-oxopentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methyl-1-propoxypentan-3-yl]-propylcarbamoyl]-4-methylhexanoyl]piperidine-1-carboxylate;N-[(2R,4S)-1-(4-hydroxyphenyl)-4-(4H-triazol-5-yl)pentan-2-yl]-2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carboxamide;2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-oxo-2-[(2R)-piperidin-2-yl]ethyl]pentanoyl]-propylamino]-1-propoxypentyl]-N-[(2R,4S)-1-phenyl-4-(4H-triazol-5-yl)pentan-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 160868862) has the molecular formula C251H389N39O42S5 and a molecular weight of 4785.44 g/mol. Its IUPAC name is 2-(2-aminoethoxy)ethyl N-[[(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoyl]amino]carbamate;2-(2-azidoethoxy)ethyl N-[[(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoyl]amino]carbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl (2R)-2-[(3S,4S)-3-[[(1R,3R)-1-[4-[[(2R,4S)-1-(4-hydroxyphenyl)-5-methoxy-4-methyl-5-oxopentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methyl-1-propoxypentan-3-yl]-propylcarbamoyl]-4-methylhexanoyl]piperidine-1-carboxylate;N-[(2R,4S)-1-(4-hydroxyphenyl)-4-(4H-triazol-5-yl)pentan-2-yl]-2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carboxamide;2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-oxo-2-[(2R)-piperidin-2-yl]ethyl]pentanoyl]-propylamino]-1-propoxypentyl]-N-[(2R,4S)-1-phenyl-4-(4H-triazol-5-yl)pentan-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-(2-aminoethoxy)ethyl N-[[(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoyl]amino]carbamate;2-(2-azidoethoxy)ethyl N-[[(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoyl]amino]carbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl (2R)-2-[(3S,4S)-3-[[(1R,3R)-1-[4-[[(2R,4S)-1-(4-hydroxyphenyl)-5-methoxy-4-methyl-5-oxopentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methyl-1-propoxypentan-3-yl]-propylcarbamoyl]-4-methylhexanoyl]piperidine-1-carboxylate;N-[(2R,4S)-1-(4-hydroxyphenyl)-4-(4H-triazol-5-yl)pentan-2-yl]-2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carboxamide;2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-oxo-2-[(2R)-piperidin-2-yl]ethyl]pentanoyl]-propylamino]-1-propoxypentyl]-N-[(2R,4S)-1-phenyl-4-(4H-triazol-5-yl)pentan-2-yl]-1,3-thiazole-4-carboxamide
• PubChem CID: 160868862
• Molecular Formula: C251H389N39O42S5
• Molecular Weight: 4785.44 g/mol
• Exact Mass: 4781.81
• IUPAC Name: 2-(2-aminoethoxy)ethyl N-[[(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoyl]amino]carbamate;2-(2-azidoethoxy)ethyl N-[[(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoyl]amino]carbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl (2R)-2-[(3S,4S)-3-[[(1R,3R)-1-[4-[[(2R,4S)-1-(4-hydroxyphenyl)-5-methoxy-4-methyl-5-oxopentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methyl-1-propoxypentan-3-yl]-propylcarbamoyl]-4-methylhexanoyl]piperidine-1-carboxylate;N-[(2R,4S)-1-(4-hydroxyphenyl)-4-(4H-triazol-5-yl)pentan-2-yl]-2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carboxamide;2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-oxo-2-[(2R)-piperidin-2-yl]ethyl]pentanoyl]-propylamino]-1-propoxypentyl]-N-[(2R,4S)-1-phenyl-4-(4H-triazol-5-yl)pentan-2-yl]-1,3-thiazole-4-carboxamide
• SMILES: CCCO[C@H](C[C@H](C(C)C)N(CCC)C(=O)[C@@H](CC(=O)[C@H]1CCCCN1)[C@@H](C)CC)c1nc(C(=O)N[C@@H](Cc2ccccc2)C[C@H](C)C2=NN=NC2)cs1.CCCO[C@H](C[C@H](C(C)C)N(CCC)C(=O)[C@@H](CC(=O)[C@H]1CCCCN1C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)CC(=O)[C@@H](NC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1)[C@@H](C)CC)c1nc(C(=O)N[C@@H](Cc2ccc(O)cc2)C[C@H](C)C(=O)OC)cs1.CCCO[C@H](C[C@H](C(C)C)N(CCC)C(=O)[C@@H](CC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)c1nc(C(=O)N[C@@H](Cc2ccc(O)cc2)C[C@H](C)C2=NN=NC2)cs1.CCCO[C@H](C[C@H](C(C)C)N(COCC)C(=O)[C@@H](CC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)c1nc(C(=O)N[C@@H](Cc2ccccc2)C[C@H](C)C(=O)NNC(=O)OCCOCCN)cs1.CCCO[C@H](C[C@H](C(C)C)N(COCC)C(=O)[C@@H](CC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)c1nc(C(=O)N[C@@H](Cc2ccccc2)C[C@H](C)C(=O)NNC(=O)OCCOCCN=[N+]=[N-])cs1
• InChI: InChI=1S/C72H105N9O15S.C47H75N9O9S.C47H77N7O9S.C43H67N7O5S.C42H65N7O4S/c1-11-34-79(58(45(4)5)42-61(95-37-12-2)68-77-56(44-97-68)67(89)76-53(38-48(9)70(91)94-10)39-49-25-29-54(82)30-26-49)69(90)55(47(8)13-3)41-59(83)57-21-16-18-35-80(57)72(93)96-43-50-23-27-52(28-24-50)75-66(88)51(20-19-33-74-71(73)92)40-60(84)65(46(6)7)78-62(85)22-15-14-17-36-81-63(86)31-32-64(81)87;1-9-22-64-42(29-40(32(4)5)56(31-62-11-3)46(60)37(33(6)10-2)28-41(57)39-19-15-16-21-55(39)8)45-51-38(30-66-45)44(59)50-36(27-35-17-13-12-14-18-35)26-34(7)43(58)52-53-47(61)65-25-24-63-23-20-49-54-48;1-9-22-62-42(29-40(32(4)5)54(31-60-11-3)46(58)37(33(6)10-2)28-41(55)39-19-15-16-21-53(39)8)45-50-38(30-64-45)44(57)49-36(27-35-17-13-12-14-18-35)26-34(7)43(56)51-52-47(59)63-25-24-61-23-20-48;1-9-19-50(43(54)34(29(6)11-3)24-39(52)37-14-12-13-20-49(37)8)38(28(4)5)25-40(55-21-10-2)42-46-36(27-56-42)41(53)45-32(22-30(7)35-26-44-48-47-35)23-31-15-17-33(51)18-16-31;1-8-20-49(42(52)33(29(6)10-3)24-38(50)34-18-14-15-19-43-34)37(28(4)5)25-39(53-21-9-2)41-46-36(27-54-41)40(51)45-32(23-31-16-12-11-13-17-31)22-30(7)35-26-44-48-47-35/h23-32,44-48,51,53,55,57-58,61,65,82H,11-22,33-43H2,1-10H3,(H,75,88)(H,76,89)(H,78,85)(H3,73,74,92);12-14,17-18,30,32-34,36-37,39-40,42H,9-11,15-16,19-29,31H2,1-8H3,(H,50,59)(H,52,58)(H,53,61);12-14,17-18,30,32-34,36-37,39-40,42H,9-11,15-16,19-29,31,48H2,1-8H3,(H,49,57)(H,51,56)(H,52,59);15-18,27-30,32,34,37-38,40,51H,9-14,19-26H2,1-8H3,(H,45,53);11-13,16-17,27-30,32-34,37,39,43H,8-10,14-15,18-26H2,1-7H3,(H,45,51)/t47-,48-,51+,53+,55-,57+,58+,61+,65-;2*33-,34-,36+,37-,39+,40+,42+;29-,30-,32+,34-,37+,38+,40+;29-,30-,32+,33-,34+,37+,39+/m00000/s1
• InChIKey: SLMOJTFDBXYCBH-PDZFLBPZSA-N
• XLogP: 39.85
• TPSA: 1049.54 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 64
• Rotatable Bonds: 147
• Heavy Atoms: 337
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4785.44
LogP ≤ 5	39.85
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	64

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)ethyl N-[[(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoyl]amino]carbamate;2-(2-azidoethoxy)ethyl N-[[(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoyl]amino]carbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl (2R)-2-[(3S,4S)-3-[[(1R,3R)-1-[4-[[(2R,4S)-1-(4-hydroxyphenyl)-5-methoxy-4-methyl-5-oxopentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methyl-1-propoxypentan-3-yl]-propylcarbamoyl]-4-methylhexanoyl]piperidine-1-carboxylate;N-[(2R,4S)-1-(4-hydroxyphenyl)-4-(4H-triazol-5-yl)pentan-2-yl]-2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carboxamide;2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-oxo-2-[(2R)-piperidin-2-yl]ethyl]pentanoyl]-propylamino]-1-propoxypentyl]-N-[(2R,4S)-1-phenyl-4-(4H-triazol-5-yl)pentan-2-yl]-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-(2-aminoethoxy)ethyl N-[[(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoyl]amino]carbamate;2-(2-azidoethoxy)ethyl N-[[(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoyl]amino]carbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl (2R)-2-[(3S,4S)-3-[[(1R,3R)-1-[4-[[(2R,4S)-1-(4-hydroxyphenyl)-5-methoxy-4-methyl-5-oxopentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methyl-1-propoxypentan-3-yl]-propylcarbamoyl]-4-methylhexanoyl]piperidine-1-carboxylate;N-[(2R,4S)-1-(4-hydroxyphenyl)-4-(4H-triazol-5-yl)pentan-2-yl]-2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carboxamide;2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-oxo-2-[(2R)-piperidin-2-yl]ethyl]pentanoyl]-propylamino]-1-propoxypentyl]-N-[(2R,4S)-1-phenyl-4-(4H-triazol-5-yl)pentan-2-yl]-1,3-thiazole-4-carboxamide (CID 160868862) is 2-(2-aminoethoxy)ethyl N-[[(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoyl]amino]carbamate;2-(2-azidoethoxy)ethyl N-[[(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoyl]amino]carbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl (2R)-2-[(3S,4S)-3-[[(1R,3R)-1-[4-[[(2R,4S)-1-(4-hydroxyphenyl)-5-methoxy-4-methyl-5-oxopentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methyl-1-propoxypentan-3-yl]-propylcarbamoyl]-4-methylhexanoyl]piperidine-1-carboxylate;N-[(2R,4S)-1-(4-hydroxyphenyl)-4-(4H-triazol-5-yl)pentan-2-yl]-2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carboxamide;2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-oxo-2-[(2R)-piperidin-2-yl]ethyl]pentanoyl]-propylamino]-1-propoxypentyl]-N-[(2R,4S)-1-phenyl-4-(4H-triazol-5-yl)pentan-2-yl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-(2-aminoethoxy)ethyl N-[[(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoyl]amino]carbamate;2-(2-azidoethoxy)ethyl N-[[(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoyl]amino]carbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl (2R)-2-[(3S,4S)-3-[[(1R,3R)-1-[4-[[(2R,4S)-1-(4-hydroxyphenyl)-5-methoxy-4-methyl-5-oxopentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methyl-1-propoxypentan-3-yl]-propylcarbamoyl]-4-methylhexanoyl]piperidine-1-carboxylate;N-[(2R,4S)-1-(4-hydroxyphenyl)-4-(4H-triazol-5-yl)pentan-2-yl]-2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carboxamide;2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-oxo-2-[(2R)-piperidin-2-yl]ethyl]pentanoyl]-propylamino]-1-propoxypentyl]-N-[(2R,4S)-1-phenyl-4-(4H-triazol-5-yl)pentan-2-yl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-(2-aminoethoxy)ethyl N-[[(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoyl]amino]carbamate;2-(2-azidoethoxy)ethyl N-[[(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoyl]amino]carbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl (2R)-2-[(3S,4S)-3-[[(1R,3R)-1-[4-[[(2R,4S)-1-(4-hydroxyphenyl)-5-methoxy-4-methyl-5-oxopentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methyl-1-propoxypentan-3-yl]-propylcarbamoyl]-4-methylhexanoyl]piperidine-1-carboxylate;N-[(2R,4S)-1-(4-hydroxyphenyl)-4-(4H-triazol-5-yl)pentan-2-yl]-2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carboxamide;2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-oxo-2-[(2R)-piperidin-2-yl]ethyl]pentanoyl]-propylamino]-1-propoxypentyl]-N-[(2R,4S)-1-phenyl-4-(4H-triazol-5-yl)pentan-2-yl]-1,3-thiazole-4-carboxamide is CCCO[C@H](C[C@H](C(C)C)N(CCC)C(=O)[C@@H](CC(=O)[C@H]1CCCCN1)[C@@H](C)CC)c1nc(C(=O)N[C@@H](Cc2ccccc2)C[C@H](C)C2=NN=NC2)cs1.CCCO[C@H](C[C@H](C(C)C)N(CCC)C(=O)[C@@H](CC(=O)[C@H]1CCCCN1C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)CC(=O)[C@@H](NC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1)[C@@H](C)CC)c1nc(C(=O)N[C@@H](Cc2ccc(O)cc2)C[C@H](C)C(=O)OC)cs1.CCCO[C@H](C[C@H](C(C)C)N(CCC)C(=O)[C@@H](CC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)c1nc(C(=O)N[C@@H](Cc2ccc(O)cc2)C[C@H](C)C2=NN=NC2)cs1.CCCO[C@H](C[C@H](C(C)C)N(COCC)C(=O)[C@@H](CC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)c1nc(C(=O)N[C@@H](Cc2ccccc2)C[C@H](C)C(=O)NNC(=O)OCCOCCN)cs1.CCCO[C@H](C[C@H](C(C)C)N(COCC)C(=O)[C@@H](CC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)c1nc(C(=O)N[C@@H](Cc2ccccc2)C[C@H](C)C(=O)NNC(=O)OCCOCCN=[N+]=[N-])cs1.

What is the InChIKey of 2-(2-aminoethoxy)ethyl N-[[(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoyl]amino]carbamate;2-(2-azidoethoxy)ethyl N-[[(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoyl]amino]carbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl (2R)-2-[(3S,4S)-3-[[(1R,3R)-1-[4-[[(2R,4S)-1-(4-hydroxyphenyl)-5-methoxy-4-methyl-5-oxopentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methyl-1-propoxypentan-3-yl]-propylcarbamoyl]-4-methylhexanoyl]piperidine-1-carboxylate;N-[(2R,4S)-1-(4-hydroxyphenyl)-4-(4H-triazol-5-yl)pentan-2-yl]-2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carboxamide;2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-oxo-2-[(2R)-piperidin-2-yl]ethyl]pentanoyl]-propylamino]-1-propoxypentyl]-N-[(2R,4S)-1-phenyl-4-(4H-triazol-5-yl)pentan-2-yl]-1,3-thiazole-4-carboxamide?

The InChIKey is SLMOJTFDBXYCBH-PDZFLBPZSA-N. The full InChI is InChI=1S/C72H105N9O15S.C47H75N9O9S.C47H77N7O9S.C43H67N7O5S.C42H65N7O4S/c1-11-34-79(58(45(4)5)42-61(95-37-12-2)68-77-56(44-97-68)67(89)76-53(38-48(9)70(91)94-10)39-49-25-29-54(82)30-26-49)69(90)55(47(8)13-3)41-59(83)57-21-16-18-35-80(57)72(93)96-43-50-23-27-52(28-24-50)75-66(88)51(20-19-33-74-71(73)92)40-60(84)65(46(6)7)78-62(85)22-15-14-17-36-81-63(86)31-32-64(81)87;1-9-22-64-42(29-40(32(4)5)56(31-62-11-3)46(60)37(33(6)10-2)28-41(57)39-19-15-16-21-55(39)8)45-51-38(30-66-45)44(59)50-36(27-35-17-13-12-14-18-35)26-34(7)43(58)52-53-47(61)65-25-24-63-23-20-49-54-48;1-9-22-62-42(29-40(32(4)5)54(31-60-11-3)46(58)37(33(6)10-2)28-41(55)39-19-15-16-21-53(39)8)45-50-38(30-64-45)44(57)49-36(27-35-17-13-12-14-18-35)26-34(7)43(56)51-52-47(59)63-25-24-61-23-20-48;1-9-19-50(43(54)34(29(6)11-3)24-39(52)37-14-12-13-20-49(37)8)38(28(4)5)25-40(55-21-10-2)42-46-36(27-56-42)41(53)45-32(22-30(7)35-26-44-48-47-35)23-31-15-17-33(51)18-16-31;1-8-20-49(42(52)33(29(6)10-3)24-38(50)34-18-14-15-19-43-34)37(28(4)5)25-39(53-21-9-2)41-46-36(27-54-41)40(51)45-32(23-31-16-12-11-13-17-31)22-30(7)35-26-44-48-47-35/h23-32,44-48,51,53,55,57-58,61,65,82H,11-22,33-43H2,1-10H3,(H,75,88)(H,76,89)(H,78,85)(H3,73,74,92);12-14,17-18,30,32-34,36-37,39-40,42H,9-11,15-16,19-29,31H2,1-8H3,(H,50,59)(H,52,58)(H,53,61);12-14,17-18,30,32-34,36-37,39-40,42H,9-11,15-16,19-29,31,48H2,1-8H3,(H,49,57)(H,51,56)(H,52,59);15-18,27-30,32,34,37-38,40,51H,9-14,19-26H2,1-8H3,(H,45,53);11-13,16-17,27-30,32-34,37,39,43H,8-10,14-15,18-26H2,1-7H3,(H,45,51)/t47-,48-,51+,53+,55-,57+,58+,61+,65-;2*33-,34-,36+,37-,39+,40+,42+;29-,30-,32+,34-,37+,38+,40+;29-,30-,32+,33-,34+,37+,39+/m00000/s1.

What are the key properties of 2-(2-aminoethoxy)ethyl N-[[(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoyl]amino]carbamate;2-(2-azidoethoxy)ethyl N-[[(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoyl]amino]carbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl (2R)-2-[(3S,4S)-3-[[(1R,3R)-1-[4-[[(2R,4S)-1-(4-hydroxyphenyl)-5-methoxy-4-methyl-5-oxopentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methyl-1-propoxypentan-3-yl]-propylcarbamoyl]-4-methylhexanoyl]piperidine-1-carboxylate;N-[(2R,4S)-1-(4-hydroxyphenyl)-4-(4H-triazol-5-yl)pentan-2-yl]-2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carboxamide;2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-oxo-2-[(2R)-piperidin-2-yl]ethyl]pentanoyl]-propylamino]-1-propoxypentyl]-N-[(2R,4S)-1-phenyl-4-(4H-triazol-5-yl)pentan-2-yl]-1,3-thiazole-4-carboxamide?

2-(2-aminoethoxy)ethyl N-[[(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoyl]amino]carbamate;2-(2-azidoethoxy)ethyl N-[[(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoyl]amino]carbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl (2R)-2-[(3S,4S)-3-[[(1R,3R)-1-[4-[[(2R,4S)-1-(4-hydroxyphenyl)-5-methoxy-4-methyl-5-oxopentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methyl-1-propoxypentan-3-yl]-propylcarbamoyl]-4-methylhexanoyl]piperidine-1-carboxylate;N-[(2R,4S)-1-(4-hydroxyphenyl)-4-(4H-triazol-5-yl)pentan-2-yl]-2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carboxamide;2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-oxo-2-[(2R)-piperidin-2-yl]ethyl]pentanoyl]-propylamino]-1-propoxypentyl]-N-[(2R,4S)-1-phenyl-4-(4H-triazol-5-yl)pentan-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 4785.44 g/mol, XLogP of 39.85, 147 rotatable bonds, 17 hydrogen bond donors, and 64 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-aminoethoxy)ethyl N-[[(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoyl]amino]carbamate;2-(2-azidoethoxy)ethyl N-[[(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoyl]amino]carbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl (2R)-2-[(3S,4S)-3-[[(1R,3R)-1-[4-[[(2R,4S)-1-(4-hydroxyphenyl)-5-methoxy-4-methyl-5-oxopentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methyl-1-propoxypentan-3-yl]-propylcarbamoyl]-4-methylhexanoyl]piperidine-1-carboxylate;N-[(2R,4S)-1-(4-hydroxyphenyl)-4-(4H-triazol-5-yl)pentan-2-yl]-2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carboxamide;2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-oxo-2-[(2R)-piperidin-2-yl]ethyl]pentanoyl]-propylamino]-1-propoxypentyl]-N-[(2R,4S)-1-phenyl-4-(4H-triazol-5-yl)pentan-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 160868862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).