2-[2-(2-azidoethoxy)ethoxy]ethyl N-[4-[2-[2-[2-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]sulfanylpropanoylamino]ethoxy]ethoxy]ethylamino]-4-oxobutyl]carbamate;methyl (2R)-8-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-2-[6-[3-[(7R)-13-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-7-acetyl-9-oxotridecanoyl]-5-[2-[2-[2-[3-[1-[2-[2-[2-[[4-[2-[2-[2-[3-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropanoylamino]ethoxy]ethoxy]ethylamino]-4-oxobutyl]carbamoyloxy]ethoxy]ethoxy]ethyl]triazol-4-yl]propanoylamino]ethoxy]ethoxy]ethylcarbamoylamino]phenyl]-6-oxohexyl]-4-oxooctanoate;methyl (2R)-8-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-2-[6-[3-[(7R)-13-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-7-acetyl-9-oxotridecanoyl]-5-[2-[2-[2-(pent-4-ynoylamino)ethoxy]ethoxy]ethylcarbamoylamino]phenyl]-6-oxohexyl]-4-oxooctanoate

C171H275N31O47S6 — CID 160623656

About 2-[2-(2-azidoethoxy)ethoxy]ethyl N-[4-[2-[2-[2-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]sulfanylpropanoylamino]ethoxy]ethoxy]ethylamino]-4-oxobutyl]carbamate;methyl (2R)-8-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-2-[6-[3-[(7R)-13-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-7-acetyl-9-oxotridecanoyl]-5-[2-[2-[2-[3-[1-[2-[2-[2-[[4-[2-[2-[2-[3-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropanoylamino]ethoxy]ethoxy]ethylamino]-4-oxobutyl]carbamoyloxy]ethoxy]ethoxy]ethyl]triazol-4-yl]propanoylamino]ethoxy]ethoxy]ethylcarbamoylamino]phenyl]-6-oxohexyl]-4-oxooctanoate;methyl (2R)-8-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-2-[6-[3-[(7R)-13-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-7-acetyl-9-oxotridecanoyl]-5-[2-[2-[2-(pent-4-ynoylamino)ethoxy]ethoxy]ethylcarbamoylamino]phenyl]-6-oxohexyl]-4-oxooctanoate

2-[2-(2-azidoethoxy)ethoxy]ethyl N-[4-[2-[2-[2-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]sulfanylpropanoylamino]ethoxy]ethoxy]ethylamino]-4-oxobutyl]carbamate;methyl (2R)-8-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-2-[6-[3-[(7R)-13-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-7-acetyl-9-oxotridecanoyl]-5-[2-[2-[2-[3-[1-[2-[2-[2-[[4-[2-[2-[2-[3-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropanoylamino]ethoxy]ethoxy]ethylamino]-4-oxobutyl]carbamoyloxy]ethoxy]ethoxy]ethyl]triazol-4-yl]propanoylamino]ethoxy]ethoxy]ethylcarbamoylamino]phenyl]-6-oxohexyl]-4-oxooctanoate;methyl (2R)-8-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-2-[6-[3-[(7R)-13-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-7-acetyl-9-oxotridecanoyl]-5-[2-[2-[2-(pent-4-ynoylamino)ethoxy]ethoxy]ethylcarbamoylamino]phenyl]-6-oxohexyl]-4-oxooctanoate (PubChem CID 160623656) has the molecular formula C171H275N31O47S6 and a molecular weight of 3709.65 g/mol. Its IUPAC name is 2-[2-(2-azidoethoxy)ethoxy]ethyl N-[4-[2-[2-[2-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]sulfanylpropanoylamino]ethoxy]ethoxy]ethylamino]-4-oxobutyl]carbamate;methyl (2R)-8-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-2-[6-[3-[(7R)-13-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-7-acetyl-9-oxotridecanoyl]-5-[2-[2-[2-[3-[1-[2-[2-[2-[[4-[2-[2-[2-[3-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropanoylamino]ethoxy]ethoxy]ethylamino]-4-oxobutyl]carbamoyloxy]ethoxy]ethoxy]ethyl]triazol-4-yl]propanoylamino]ethoxy]ethoxy]ethylcarbamoylamino]phenyl]-6-oxohexyl]-4-oxooctanoate;methyl (2R)-8-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-2-[6-[3-[(7R)-13-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-7-acetyl-9-oxotridecanoyl]-5-[2-[2-[2-(pent-4-ynoylamino)ethoxy]ethoxy]ethylcarbamoylamino]phenyl]-6-oxohexyl]-4-oxooctanoate.

Molecular Properties

• Compound Name: 2-[2-(2-azidoethoxy)ethoxy]ethyl N-[4-[2-[2-[2-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]sulfanylpropanoylamino]ethoxy]ethoxy]ethylamino]-4-oxobutyl]carbamate;methyl (2R)-8-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-2-[6-[3-[(7R)-13-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-7-acetyl-9-oxotridecanoyl]-5-[2-[2-[2-[3-[1-[2-[2-[2-[[4-[2-[2-[2-[3-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropanoylamino]ethoxy]ethoxy]ethylamino]-4-oxobutyl]carbamoyloxy]ethoxy]ethoxy]ethyl]triazol-4-yl]propanoylamino]ethoxy]ethoxy]ethylcarbamoylamino]phenyl]-6-oxohexyl]-4-oxooctanoate;methyl (2R)-8-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-2-[6-[3-[(7R)-13-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-7-acetyl-9-oxotridecanoyl]-5-[2-[2-[2-(pent-4-ynoylamino)ethoxy]ethoxy]ethylcarbamoylamino]phenyl]-6-oxohexyl]-4-oxooctanoate
• PubChem CID: 160623656
• Molecular Formula: C171H275N31O47S6
• Molecular Weight: 3709.65 g/mol
• Exact Mass: 3706.84
• IUPAC Name: 2-[2-(2-azidoethoxy)ethoxy]ethyl N-[4-[2-[2-[2-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]sulfanylpropanoylamino]ethoxy]ethoxy]ethylamino]-4-oxobutyl]carbamate;methyl (2R)-8-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-2-[6-[3-[(7R)-13-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-7-acetyl-9-oxotridecanoyl]-5-[2-[2-[2-[3-[1-[2-[2-[2-[[4-[2-[2-[2-[3-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropanoylamino]ethoxy]ethoxy]ethylamino]-4-oxobutyl]carbamoyloxy]ethoxy]ethoxy]ethyl]triazol-4-yl]propanoylamino]ethoxy]ethoxy]ethylcarbamoylamino]phenyl]-6-oxohexyl]-4-oxooctanoate;methyl (2R)-8-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-2-[6-[3-[(7R)-13-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-7-acetyl-9-oxotridecanoyl]-5-[2-[2-[2-(pent-4-ynoylamino)ethoxy]ethoxy]ethylcarbamoylamino]phenyl]-6-oxohexyl]-4-oxooctanoate
• SMILES: C#CCCC(=O)NCCOCCOCCNC(=O)Nc1cc(C(=O)CCCCC[C@H](CC(=O)CCCC[C@@H]2SC[C@@H]3NC(N)=N[C@@H]32)C(C)=O)cc(C(=O)CCCCC[C@H](CC(=O)CCCC[C@@H]2SC[C@@H]3NC(N)=N[C@@H]32)C(=O)OC)c1.CC1C(SCCC(=O)NCCOCCOCCNC(=O)CCCNC(=O)OCCOCCOCCN=[N+]=[N-])OC(CO)C(O)C1O.COC(=O)[C@H](CCCCCC(=O)c1cc(NC(=O)NCCOCCOCCNC(=O)CCc2cn(CCOCCOCCOC(=O)NCCCC(=O)NCCOCCOCCNC(=O)CCSC3OC(CO)C(O)C(O)C3NC(C)=O)nn2)cc(C(=O)CCCCC[C@H](CC(=O)CCCC[C@@H]2SC[C@@H]3NC(N)=N[C@@H]32)C(C)=O)c1)CC(=O)CCCC[C@@H]1SC[C@@H]2NC(N)=N[C@@H]21
• InChI: InChI=1S/C86H138N16O24S3.C58H87N9O11S2.C27H50N6O12S/c1-56(104)58(50-64(106)17-10-12-21-71-76-66(54-128-71)96-83(87)98-76)15-6-4-8-19-68(108)60-47-61(69(109)20-9-5-7-16-59(81(115)118-3)51-65(107)18-11-13-22-72-77-67(55-129-72)97-84(88)99-77)49-63(48-60)95-85(116)92-31-36-122-41-40-120-34-29-90-74(111)25-24-62-52-102(101-100-62)32-37-123-42-43-124-44-45-125-86(117)93-27-14-23-73(110)89-28-33-119-38-39-121-35-30-91-75(112)26-46-127-82-78(94-57(2)105)80(114)79(113)70(53-103)126-82;1-4-5-24-52(73)61-25-27-77-29-30-78-28-26-62-58(75)63-43-32-41(48(71)20-10-6-8-16-39(38(2)68)34-44(69)18-12-14-22-50-53-46(36-79-50)64-56(59)66-53)31-42(33-43)49(72)21-11-7-9-17-40(55(74)76-3)35-45(70)19-13-15-23-51-54-47(37-80-51)65-57(60)67-54;1-20-24(37)25(38)21(19-34)45-26(20)46-18-4-23(36)30-7-10-41-13-12-40-9-6-29-22(35)3-2-5-31-27(39)44-17-16-43-15-14-42-11-8-32-33-28/h47-49,52,58-59,66-67,70-72,76-80,82,103,113-114H,4-46,50-51,53-55H2,1-3H3,(H,89,110)(H,90,111)(H,91,112)(H,93,117)(H,94,105)(H3,87,96,98)(H3,88,97,99)(H2,92,95,116);1,31-33,39-40,46-47,50-51,53-54H,5-30,34-37H2,2-3H3,(H,61,73)(H3,59,64,66)(H3,60,65,67)(H2,62,63,75);20-21,24-26,34,37-38H,2-19H2,1H3,(H,29,35)(H,30,36)(H,31,39)/t58-,59-,66+,67+,70?,71+,72+,76+,77+,78?,79?,80?,82?;39-,40-,46+,47+,50+,51+,53+,54+;/m11./s1
• InChIKey: RHACPAMMQNMCTR-ZUMPWEIUSA-N
• XLogP: 8.41
• TPSA: 1117.63 Ų
• H-Bond Donors: 27
• H-Bond Acceptors: 69
• Rotatable Bonds: 140
• Heavy Atoms: 255
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3709.65
LogP ≤ 5	8.41
H-Bond Donors ≤ 5	27
H-Bond Acceptors ≤ 10	69

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-azidoethoxy)ethoxy]ethyl N-[4-[2-[2-[2-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]sulfanylpropanoylamino]ethoxy]ethoxy]ethylamino]-4-oxobutyl]carbamate;methyl (2R)-8-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-2-[6-[3-[(7R)-13-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-7-acetyl-9-oxotridecanoyl]-5-[2-[2-[2-[3-[1-[2-[2-[2-[[4-[2-[2-[2-[3-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropanoylamino]ethoxy]ethoxy]ethylamino]-4-oxobutyl]carbamoyloxy]ethoxy]ethoxy]ethyl]triazol-4-yl]propanoylamino]ethoxy]ethoxy]ethylcarbamoylamino]phenyl]-6-oxohexyl]-4-oxooctanoate;methyl (2R)-8-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-2-[6-[3-[(7R)-13-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-7-acetyl-9-oxotridecanoyl]-5-[2-[2-[2-(pent-4-ynoylamino)ethoxy]ethoxy]ethylcarbamoylamino]phenyl]-6-oxohexyl]-4-oxooctanoate?

The IUPAC name of 2-[2-(2-azidoethoxy)ethoxy]ethyl N-[4-[2-[2-[2-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]sulfanylpropanoylamino]ethoxy]ethoxy]ethylamino]-4-oxobutyl]carbamate;methyl (2R)-8-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-2-[6-[3-[(7R)-13-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-7-acetyl-9-oxotridecanoyl]-5-[2-[2-[2-[3-[1-[2-[2-[2-[[4-[2-[2-[2-[3-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropanoylamino]ethoxy]ethoxy]ethylamino]-4-oxobutyl]carbamoyloxy]ethoxy]ethoxy]ethyl]triazol-4-yl]propanoylamino]ethoxy]ethoxy]ethylcarbamoylamino]phenyl]-6-oxohexyl]-4-oxooctanoate;methyl (2R)-8-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-2-[6-[3-[(7R)-13-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-7-acetyl-9-oxotridecanoyl]-5-[2-[2-[2-(pent-4-ynoylamino)ethoxy]ethoxy]ethylcarbamoylamino]phenyl]-6-oxohexyl]-4-oxooctanoate (CID 160623656) is 2-[2-(2-azidoethoxy)ethoxy]ethyl N-[4-[2-[2-[2-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]sulfanylpropanoylamino]ethoxy]ethoxy]ethylamino]-4-oxobutyl]carbamate;methyl (2R)-8-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-2-[6-[3-[(7R)-13-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-7-acetyl-9-oxotridecanoyl]-5-[2-[2-[2-[3-[1-[2-[2-[2-[[4-[2-[2-[2-[3-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropanoylamino]ethoxy]ethoxy]ethylamino]-4-oxobutyl]carbamoyloxy]ethoxy]ethoxy]ethyl]triazol-4-yl]propanoylamino]ethoxy]ethoxy]ethylcarbamoylamino]phenyl]-6-oxohexyl]-4-oxooctanoate;methyl (2R)-8-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-2-[6-[3-[(7R)-13-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-7-acetyl-9-oxotridecanoyl]-5-[2-[2-[2-(pent-4-ynoylamino)ethoxy]ethoxy]ethylcarbamoylamino]phenyl]-6-oxohexyl]-4-oxooctanoate.

What is the SMILES notation for 2-[2-(2-azidoethoxy)ethoxy]ethyl N-[4-[2-[2-[2-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]sulfanylpropanoylamino]ethoxy]ethoxy]ethylamino]-4-oxobutyl]carbamate;methyl (2R)-8-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-2-[6-[3-[(7R)-13-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-7-acetyl-9-oxotridecanoyl]-5-[2-[2-[2-[3-[1-[2-[2-[2-[[4-[2-[2-[2-[3-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropanoylamino]ethoxy]ethoxy]ethylamino]-4-oxobutyl]carbamoyloxy]ethoxy]ethoxy]ethyl]triazol-4-yl]propanoylamino]ethoxy]ethoxy]ethylcarbamoylamino]phenyl]-6-oxohexyl]-4-oxooctanoate;methyl (2R)-8-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-2-[6-[3-[(7R)-13-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-7-acetyl-9-oxotridecanoyl]-5-[2-[2-[2-(pent-4-ynoylamino)ethoxy]ethoxy]ethylcarbamoylamino]phenyl]-6-oxohexyl]-4-oxooctanoate?

The canonical SMILES for 2-[2-(2-azidoethoxy)ethoxy]ethyl N-[4-[2-[2-[2-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]sulfanylpropanoylamino]ethoxy]ethoxy]ethylamino]-4-oxobutyl]carbamate;methyl (2R)-8-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-2-[6-[3-[(7R)-13-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-7-acetyl-9-oxotridecanoyl]-5-[2-[2-[2-[3-[1-[2-[2-[2-[[4-[2-[2-[2-[3-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropanoylamino]ethoxy]ethoxy]ethylamino]-4-oxobutyl]carbamoyloxy]ethoxy]ethoxy]ethyl]triazol-4-yl]propanoylamino]ethoxy]ethoxy]ethylcarbamoylamino]phenyl]-6-oxohexyl]-4-oxooctanoate;methyl (2R)-8-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-2-[6-[3-[(7R)-13-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-7-acetyl-9-oxotridecanoyl]-5-[2-[2-[2-(pent-4-ynoylamino)ethoxy]ethoxy]ethylcarbamoylamino]phenyl]-6-oxohexyl]-4-oxooctanoate is C#CCCC(=O)NCCOCCOCCNC(=O)Nc1cc(C(=O)CCCCC[C@H](CC(=O)CCCC[C@@H]2SC[C@@H]3NC(N)=N[C@@H]32)C(C)=O)cc(C(=O)CCCCC[C@H](CC(=O)CCCC[C@@H]2SC[C@@H]3NC(N)=N[C@@H]32)C(=O)OC)c1.CC1C(SCCC(=O)NCCOCCOCCNC(=O)CCCNC(=O)OCCOCCOCCN=[N+]=[N-])OC(CO)C(O)C1O.COC(=O)[C@H](CCCCCC(=O)c1cc(NC(=O)NCCOCCOCCNC(=O)CCc2cn(CCOCCOCCOC(=O)NCCCC(=O)NCCOCCOCCNC(=O)CCSC3OC(CO)C(O)C(O)C3NC(C)=O)nn2)cc(C(=O)CCCCC[C@H](CC(=O)CCCC[C@@H]2SC[C@@H]3NC(N)=N[C@@H]32)C(C)=O)c1)CC(=O)CCCC[C@@H]1SC[C@@H]2NC(N)=N[C@@H]21.

What is the InChIKey of 2-[2-(2-azidoethoxy)ethoxy]ethyl N-[4-[2-[2-[2-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]sulfanylpropanoylamino]ethoxy]ethoxy]ethylamino]-4-oxobutyl]carbamate;methyl (2R)-8-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-2-[6-[3-[(7R)-13-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-7-acetyl-9-oxotridecanoyl]-5-[2-[2-[2-[3-[1-[2-[2-[2-[[4-[2-[2-[2-[3-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropanoylamino]ethoxy]ethoxy]ethylamino]-4-oxobutyl]carbamoyloxy]ethoxy]ethoxy]ethyl]triazol-4-yl]propanoylamino]ethoxy]ethoxy]ethylcarbamoylamino]phenyl]-6-oxohexyl]-4-oxooctanoate;methyl (2R)-8-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-2-[6-[3-[(7R)-13-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-7-acetyl-9-oxotridecanoyl]-5-[2-[2-[2-(pent-4-ynoylamino)ethoxy]ethoxy]ethylcarbamoylamino]phenyl]-6-oxohexyl]-4-oxooctanoate?

The InChIKey is RHACPAMMQNMCTR-ZUMPWEIUSA-N. The full InChI is InChI=1S/C86H138N16O24S3.C58H87N9O11S2.C27H50N6O12S/c1-56(104)58(50-64(106)17-10-12-21-71-76-66(54-128-71)96-83(87)98-76)15-6-4-8-19-68(108)60-47-61(69(109)20-9-5-7-16-59(81(115)118-3)51-65(107)18-11-13-22-72-77-67(55-129-72)97-84(88)99-77)49-63(48-60)95-85(116)92-31-36-122-41-40-120-34-29-90-74(111)25-24-62-52-102(101-100-62)32-37-123-42-43-124-44-45-125-86(117)93-27-14-23-73(110)89-28-33-119-38-39-121-35-30-91-75(112)26-46-127-82-78(94-57(2)105)80(114)79(113)70(53-103)126-82;1-4-5-24-52(73)61-25-27-77-29-30-78-28-26-62-58(75)63-43-32-41(48(71)20-10-6-8-16-39(38(2)68)34-44(69)18-12-14-22-50-53-46(36-79-50)64-56(59)66-53)31-42(33-43)49(72)21-11-7-9-17-40(55(74)76-3)35-45(70)19-13-15-23-51-54-47(37-80-51)65-57(60)67-54;1-20-24(37)25(38)21(19-34)45-26(20)46-18-4-23(36)30-7-10-41-13-12-40-9-6-29-22(35)3-2-5-31-27(39)44-17-16-43-15-14-42-11-8-32-33-28/h47-49,52,58-59,66-67,70-72,76-80,82,103,113-114H,4-46,50-51,53-55H2,1-3H3,(H,89,110)(H,90,111)(H,91,112)(H,93,117)(H,94,105)(H3,87,96,98)(H3,88,97,99)(H2,92,95,116);1,31-33,39-40,46-47,50-51,53-54H,5-30,34-37H2,2-3H3,(H,61,73)(H3,59,64,66)(H3,60,65,67)(H2,62,63,75);20-21,24-26,34,37-38H,2-19H2,1H3,(H,29,35)(H,30,36)(H,31,39)/t58-,59-,66+,67+,70?,71+,72+,76+,77+,78?,79?,80?,82?;39-,40-,46+,47+,50+,51+,53+,54+;/m11./s1.

What are the key properties of 2-[2-(2-azidoethoxy)ethoxy]ethyl N-[4-[2-[2-[2-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]sulfanylpropanoylamino]ethoxy]ethoxy]ethylamino]-4-oxobutyl]carbamate;methyl (2R)-8-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-2-[6-[3-[(7R)-13-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-7-acetyl-9-oxotridecanoyl]-5-[2-[2-[2-[3-[1-[2-[2-[2-[[4-[2-[2-[2-[3-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropanoylamino]ethoxy]ethoxy]ethylamino]-4-oxobutyl]carbamoyloxy]ethoxy]ethoxy]ethyl]triazol-4-yl]propanoylamino]ethoxy]ethoxy]ethylcarbamoylamino]phenyl]-6-oxohexyl]-4-oxooctanoate;methyl (2R)-8-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-2-[6-[3-[(7R)-13-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-7-acetyl-9-oxotridecanoyl]-5-[2-[2-[2-(pent-4-ynoylamino)ethoxy]ethoxy]ethylcarbamoylamino]phenyl]-6-oxohexyl]-4-oxooctanoate?

2-[2-(2-azidoethoxy)ethoxy]ethyl N-[4-[2-[2-[2-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]sulfanylpropanoylamino]ethoxy]ethoxy]ethylamino]-4-oxobutyl]carbamate;methyl (2R)-8-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-2-[6-[3-[(7R)-13-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-7-acetyl-9-oxotridecanoyl]-5-[2-[2-[2-[3-[1-[2-[2-[2-[[4-[2-[2-[2-[3-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropanoylamino]ethoxy]ethoxy]ethylamino]-4-oxobutyl]carbamoyloxy]ethoxy]ethoxy]ethyl]triazol-4-yl]propanoylamino]ethoxy]ethoxy]ethylcarbamoylamino]phenyl]-6-oxohexyl]-4-oxooctanoate;methyl (2R)-8-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-2-[6-[3-[(7R)-13-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-7-acetyl-9-oxotridecanoyl]-5-[2-[2-[2-(pent-4-ynoylamino)ethoxy]ethoxy]ethylcarbamoylamino]phenyl]-6-oxohexyl]-4-oxooctanoate has a molecular weight of 3709.65 g/mol, XLogP of 8.41, 140 rotatable bonds, 27 hydrogen bond donors, and 69 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2-azidoethoxy)ethoxy]ethyl N-[4-[2-[2-[2-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]sulfanylpropanoylamino]ethoxy]ethoxy]ethylamino]-4-oxobutyl]carbamate;methyl (2R)-8-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-2-[6-[3-[(7R)-13-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-7-acetyl-9-oxotridecanoyl]-5-[2-[2-[2-[3-[1-[2-[2-[2-[[4-[2-[2-[2-[3-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropanoylamino]ethoxy]ethoxy]ethylamino]-4-oxobutyl]carbamoyloxy]ethoxy]ethoxy]ethyl]triazol-4-yl]propanoylamino]ethoxy]ethoxy]ethylcarbamoylamino]phenyl]-6-oxohexyl]-4-oxooctanoate;methyl (2R)-8-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-2-[6-[3-[(7R)-13-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-7-acetyl-9-oxotridecanoyl]-5-[2-[2-[2-(pent-4-ynoylamino)ethoxy]ethoxy]ethylcarbamoylamino]phenyl]-6-oxohexyl]-4-oxooctanoate is sourced from PubChem (CID 160623656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).