N-[(2S)-1-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-methylpentanoyl]amino]-N-methylpentanediamide;(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]acetyl]amino]pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[1-[[(2S)-1-[[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]butanediamide;methane;N-[6-[[6-[[(2S,3S)-1-[[(3S)-7-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-oxoheptan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-6-oxohexyl]amino]-6-oxohexyl]hexadecanamide

C187H320N36O49 — CID 159711310

About N-[(2S)-1-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-methylpentanoyl]amino]-N-methylpentanediamide;(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]acetyl]amino]pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[1-[[(2S)-1-[[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]butanediamide;methane;N-[6-[[6-[[(2S,3S)-1-[[(3S)-7-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-oxoheptan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-6-oxohexyl]amino]-6-oxohexyl]hexadecanamide

N-[(2S)-1-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-methylpentanoyl]amino]-N-methylpentanediamide;(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]acetyl]amino]pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[1-[[(2S)-1-[[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]butanediamide;methane;N-[6-[[6-[[(2S,3S)-1-[[(3S)-7-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-oxoheptan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-6-oxohexyl]amino]-6-oxohexyl]hexadecanamide (PubChem CID 159711310) has the molecular formula C187H320N36O49 and a molecular weight of 3856.82 g/mol. Its IUPAC name is N-[(2S)-1-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-methylpentanoyl]amino]-N-methylpentanediamide;(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]acetyl]amino]pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[1-[[(2S)-1-[[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]butanediamide;methane;N-[6-[[6-[[(2S,3S)-1-[[(3S)-7-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-oxoheptan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-6-oxohexyl]amino]-6-oxohexyl]hexadecanamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-methylpentanoyl]amino]-N-methylpentanediamide;(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]acetyl]amino]pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[1-[[(2S)-1-[[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]butanediamide;methane;N-[6-[[6-[[(2S,3S)-1-[[(3S)-7-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-oxoheptan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-6-oxohexyl]amino]-6-oxohexyl]hexadecanamide
• PubChem CID: 159711310
• Molecular Formula: C187H320N36O49
• Molecular Weight: 3856.82 g/mol
• Exact Mass: 3854.37
• IUPAC Name: N-[(2S)-1-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-methylpentanoyl]amino]-N-methylpentanediamide;(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]acetyl]amino]pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[1-[[(2S)-1-[[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]butanediamide;methane;N-[6-[[6-[[(2S,3S)-1-[[(3S)-7-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-oxoheptan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-6-oxohexyl]amino]-6-oxohexyl]hexadecanamide
• SMILES: C.CCCCCCCCCCCCCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)N[C@H](C(=O)N[C@@H](CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)C(C)=O)[C@@H](C)CC.CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)C(CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C(Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)Cn1cnc2ccc(N3CCN(C)CC3)cc2c1=O)C(C)C)[C@@H](C)O.C[C@@H](CCCN=C(N)N)C(=O)NC(CCC(N)=O)C(=O)N(C)[C@@H](CCCN=C(N)N)C(=O)NC(Cc1ccc(O)cc1)C(N)=O
• InChI: InChI=1S/C91H177N5O30.C67H92N20O13.C28H47N11O6.CH4/c1-6-8-9-10-11-12-13-14-15-16-17-18-21-29-86(98)92-33-25-19-22-30-87(99)93-34-26-20-23-31-89(101)96-90(83(3)7-2)91(102)95-85(84(4)97)28-24-27-35-94-88(100)32-36-104-39-40-106-43-44-108-47-48-110-51-52-112-55-56-114-59-60-116-63-64-118-67-68-120-71-72-122-75-76-124-79-80-126-82-81-125-78-77-123-74-73-121-70-69-119-66-65-117-62-61-115-58-57-113-54-53-111-50-49-109-46-45-107-42-41-105-38-37-103-5;1-36(2)25-49(59(93)82-53(30-54(68)90)62(96)80-51(27-40-31-74-46-12-9-8-11-44(40)46)63(97)83-56(37(3)4)65(99)84-57(38(5)88)64(98)71-6)78-60(94)50(26-39-14-17-43(89)18-15-39)79-61(95)52(28-41-32-72-34-75-41)81-58(92)48(13-10-20-73-67(69)70)77-55(91)33-87-35-76-47-19-16-42(29-45(47)66(87)100)86-23-21-85(7)22-24-86;1-16(5-3-13-35-27(31)32)24(43)37-19(11-12-22(29)41)26(45)39(2)21(6-4-14-36-28(33)34)25(44)38-20(23(30)42)15-17-7-9-18(40)10-8-17;/h83,85,90H,6-82H2,1-5H3,(H,92,98)(H,93,99)(H,94,100)(H,95,102)(H,96,101);8-9,11-12,14-19,29,31-32,34-38,48-53,56-57,74,88-89H,10,13,20-28,30,33H2,1-7H3,(H2,68,90)(H,71,98)(H,72,75)(H,77,91)(H,78,94)(H,79,95)(H,80,96)(H,81,92)(H,82,93)(H,83,97)(H,84,99)(H4,69,70,73);7-10,16,19-21,40H,3-6,11-15H2,1-2H3,(H2,29,41)(H2,30,42)(H,37,43)(H,38,44)(H4,31,32,35)(H4,33,34,36);1H4/t83-,85-,90-;38-,48+,49?,50+,51?,52?,53+,56+,57+;16-,19?,20?,21-;/m010./s1
• InChIKey: MYWIUHUNKPPXKF-ALBVKYPDSA-N
• XLogP: 3.41
• TPSA: 1193.50 Ų
• H-Bond Donors: 30
• H-Bond Acceptors: 57
• Rotatable Bonds: 164
• Heavy Atoms: 272
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3856.82
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	30
H-Bond Acceptors ≤ 10	57

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 N-[(2S)-1-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-methylpentanoyl]amino]-N-methylpentanediamide;(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]acetyl]amino]pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[1-[[(2S)-1-[[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]butanediamide;methane;N-[6-[[6-[[(2S,3S)-1-[[(3S)-7-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-oxoheptan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-6-oxohexyl]amino]-6-oxohexyl]hexadecanamide?

The IUPAC name of N-[(2S)-1-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-methylpentanoyl]amino]-N-methylpentanediamide;(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]acetyl]amino]pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[1-[[(2S)-1-[[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]butanediamide;methane;N-[6-[[6-[[(2S,3S)-1-[[(3S)-7-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-oxoheptan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-6-oxohexyl]amino]-6-oxohexyl]hexadecanamide (CID 159711310) is N-[(2S)-1-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-methylpentanoyl]amino]-N-methylpentanediamide;(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]acetyl]amino]pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[1-[[(2S)-1-[[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]butanediamide;methane;N-[6-[[6-[[(2S,3S)-1-[[(3S)-7-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-oxoheptan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-6-oxohexyl]amino]-6-oxohexyl]hexadecanamide.

What is the SMILES notation for N-[(2S)-1-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-methylpentanoyl]amino]-N-methylpentanediamide;(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]acetyl]amino]pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[1-[[(2S)-1-[[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]butanediamide;methane;N-[6-[[6-[[(2S,3S)-1-[[(3S)-7-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-oxoheptan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-6-oxohexyl]amino]-6-oxohexyl]hexadecanamide?

The canonical SMILES for N-[(2S)-1-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-methylpentanoyl]amino]-N-methylpentanediamide;(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]acetyl]amino]pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[1-[[(2S)-1-[[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]butanediamide;methane;N-[6-[[6-[[(2S,3S)-1-[[(3S)-7-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-oxoheptan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-6-oxohexyl]amino]-6-oxohexyl]hexadecanamide is C.CCCCCCCCCCCCCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)N[C@H](C(=O)N[C@@H](CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)C(C)=O)[C@@H](C)CC.CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)C(CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C(Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)Cn1cnc2ccc(N3CCN(C)CC3)cc2c1=O)C(C)C)[C@@H](C)O.C[C@@H](CCCN=C(N)N)C(=O)NC(CCC(N)=O)C(=O)N(C)[C@@H](CCCN=C(N)N)C(=O)NC(Cc1ccc(O)cc1)C(N)=O.

What is the InChIKey of N-[(2S)-1-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-methylpentanoyl]amino]-N-methylpentanediamide;(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]acetyl]amino]pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[1-[[(2S)-1-[[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]butanediamide;methane;N-[6-[[6-[[(2S,3S)-1-[[(3S)-7-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-oxoheptan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-6-oxohexyl]amino]-6-oxohexyl]hexadecanamide?

The InChIKey is MYWIUHUNKPPXKF-ALBVKYPDSA-N. The full InChI is InChI=1S/C91H177N5O30.C67H92N20O13.C28H47N11O6.CH4/c1-6-8-9-10-11-12-13-14-15-16-17-18-21-29-86(98)92-33-25-19-22-30-87(99)93-34-26-20-23-31-89(101)96-90(83(3)7-2)91(102)95-85(84(4)97)28-24-27-35-94-88(100)32-36-104-39-40-106-43-44-108-47-48-110-51-52-112-55-56-114-59-60-116-63-64-118-67-68-120-71-72-122-75-76-124-79-80-126-82-81-125-78-77-123-74-73-121-70-69-119-66-65-117-62-61-115-58-57-113-54-53-111-50-49-109-46-45-107-42-41-105-38-37-103-5;1-36(2)25-49(59(93)82-53(30-54(68)90)62(96)80-51(27-40-31-74-46-12-9-8-11-44(40)46)63(97)83-56(37(3)4)65(99)84-57(38(5)88)64(98)71-6)78-60(94)50(26-39-14-17-43(89)18-15-39)79-61(95)52(28-41-32-72-34-75-41)81-58(92)48(13-10-20-73-67(69)70)77-55(91)33-87-35-76-47-19-16-42(29-45(47)66(87)100)86-23-21-85(7)22-24-86;1-16(5-3-13-35-27(31)32)24(43)37-19(11-12-22(29)41)26(45)39(2)21(6-4-14-36-28(33)34)25(44)38-20(23(30)42)15-17-7-9-18(40)10-8-17;/h83,85,90H,6-82H2,1-5H3,(H,92,98)(H,93,99)(H,94,100)(H,95,102)(H,96,101);8-9,11-12,14-19,29,31-32,34-38,48-53,56-57,74,88-89H,10,13,20-28,30,33H2,1-7H3,(H2,68,90)(H,71,98)(H,72,75)(H,77,91)(H,78,94)(H,79,95)(H,80,96)(H,81,92)(H,82,93)(H,83,97)(H,84,99)(H4,69,70,73);7-10,16,19-21,40H,3-6,11-15H2,1-2H3,(H2,29,41)(H2,30,42)(H,37,43)(H,38,44)(H4,31,32,35)(H4,33,34,36);1H4/t83-,85-,90-;38-,48+,49?,50+,51?,52?,53+,56+,57+;16-,19?,20?,21-;/m010./s1.

What are the key properties of N-[(2S)-1-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-methylpentanoyl]amino]-N-methylpentanediamide;(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]acetyl]amino]pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[1-[[(2S)-1-[[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]butanediamide;methane;N-[6-[[6-[[(2S,3S)-1-[[(3S)-7-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-oxoheptan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-6-oxohexyl]amino]-6-oxohexyl]hexadecanamide?

N-[(2S)-1-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-methylpentanoyl]amino]-N-methylpentanediamide;(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]acetyl]amino]pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[1-[[(2S)-1-[[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]butanediamide;methane;N-[6-[[6-[[(2S,3S)-1-[[(3S)-7-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-oxoheptan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-6-oxohexyl]amino]-6-oxohexyl]hexadecanamide has a molecular weight of 3856.82 g/mol, XLogP of 3.41, 164 rotatable bonds, 30 hydrogen bond donors, and 57 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-methylpentanoyl]amino]-N-methylpentanediamide;(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]acetyl]amino]pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[1-[[(2S)-1-[[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]butanediamide;methane;N-[6-[[6-[[(2S,3S)-1-[[(3S)-7-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-oxoheptan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-6-oxohexyl]amino]-6-oxohexyl]hexadecanamide is sourced from PubChem (CID 159711310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).