(2S)-N-[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S,3R)-3-hydroxy-2-methylbutanoyl]amino]pentanoyl]amino]-N-methylpentanediamide;(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[6-[4-[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-6-[[(2S,3R)-2-[[(2S,3R)-2-(hexadecanoylamino)-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]piperazin-1-yl]-4-oxoquinazolin-3-yl]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[(2S)-3-(1H-indol-3-yl)-1-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]butanediamide

C130H204N36O26 — CID 159819599

About (2S)-N-[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S,3R)-3-hydroxy-2-methylbutanoyl]amino]pentanoyl]amino]-N-methylpentanediamide;(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[6-[4-[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-6-[[(2S,3R)-2-[[(2S,3R)-2-(hexadecanoylamino)-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]piperazin-1-yl]-4-oxoquinazolin-3-yl]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[(2S)-3-(1H-indol-3-yl)-1-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]butanediamide

(2S)-N-[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S,3R)-3-hydroxy-2-methylbutanoyl]amino]pentanoyl]amino]-N-methylpentanediamide;(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[6-[4-[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-6-[[(2S,3R)-2-[[(2S,3R)-2-(hexadecanoylamino)-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]piperazin-1-yl]-4-oxoquinazolin-3-yl]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[(2S)-3-(1H-indol-3-yl)-1-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]butanediamide (PubChem CID 159819599) has the molecular formula C130H204N36O26 and a molecular weight of 2687.29 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S,3R)-3-hydroxy-2-methylbutanoyl]amino]pentanoyl]amino]-N-methylpentanediamide;(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[6-[4-[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-6-[[(2S,3R)-2-[[(2S,3R)-2-(hexadecanoylamino)-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]piperazin-1-yl]-4-oxoquinazolin-3-yl]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[(2S)-3-(1H-indol-3-yl)-1-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]butanediamide.

Molecular Properties

• Compound Name: (2S)-N-[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S,3R)-3-hydroxy-2-methylbutanoyl]amino]pentanoyl]amino]-N-methylpentanediamide;(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[6-[4-[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-6-[[(2S,3R)-2-[[(2S,3R)-2-(hexadecanoylamino)-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]piperazin-1-yl]-4-oxoquinazolin-3-yl]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[(2S)-3-(1H-indol-3-yl)-1-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]butanediamide
• PubChem CID: 159819599
• Molecular Formula: C130H204N36O26
• Molecular Weight: 2687.29 g/mol
• Exact Mass: 2685.57
• IUPAC Name: (2S)-N-[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S,3R)-3-hydroxy-2-methylbutanoyl]amino]pentanoyl]amino]-N-methylpentanediamide;(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[6-[4-[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-6-[[(2S,3R)-2-[[(2S,3R)-2-(hexadecanoylamino)-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]piperazin-1-yl]-4-oxoquinazolin-3-yl]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[(2S)-3-(1H-indol-3-yl)-1-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]butanediamide
• SMILES: C[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O.[H]/N=C(\N)NCCC[C@H](NC(=O)Cn1cnc2ccc(N3CCN(C(=O)[C@H](CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC)[C@@H](C)O)[C@@H](C)O)NC(=O)[C@@H](N)[C@@H](C)CC)CC3)cc2c1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)NC)C(C)C
• InChI: InChI=1S/C98H150N24O18.C32H54N12O8/c1-11-13-14-15-16-17-18-19-20-21-22-23-24-34-80(127)117-85(62(9)124)95(138)119-84(61(8)123)94(137)105-41-28-27-32-73(111-92(135)82(100)60(7)12-2)97(140)121-45-43-120(44-46-121)66-37-40-71-69(51-66)96(139)122(57-109-71)55-81(128)110-72(33-29-42-106-98(101)102)86(129)115-77(50-65-54-104-56-108-65)89(132)113-75(48-63-35-38-67(125)39-36-63)88(131)112-74(47-58(3)4)87(130)116-78(52-79(99)126)90(133)114-76(91(134)118-83(59(5)6)93(136)103-10)49-64-53-107-70-31-26-25-30-68(64)70;1-17(18(2)45)27(49)41-21(6-4-14-39-31(35)36)28(50)42-22(12-13-25(33)47)30(52)44(3)24(7-5-15-40-32(37)38)29(51)43-23(26(34)48)16-19-8-10-20(46)11-9-19/h25-26,30-31,35-40,51,53-54,56-62,72-78,82-85,107,123-125H,11-24,27-29,32-34,41-50,52,55,100H2,1-10H3,(H2,99,126)(H,103,136)(H,104,108)(H,105,137)(H,110,128)(H,111,135)(H,112,131)(H,113,132)(H,114,133)(H,115,129)(H,116,130)(H,117,127)(H,118,134)(H,119,138)(H4,101,102,106);8-11,17-18,21-24,45-46H,4-7,12-16H2,1-3H3,(H2,33,47)(H2,34,48)(H,41,49)(H,42,50)(H,43,51)(H4,35,36,39)(H4,37,38,40)/t60-,61+,62+,72-,73-,74-,75-,76-,77-,78-,82-,83-,84-,85-;17-,18+,21-,22-,23-,24-/m00/s1
• InChIKey: NMBHQTSMXZMPLU-JBZVFGQDSA-N
• XLogP: -1.89
• TPSA: 1006.86 Ų
• H-Bond Donors: 33
• H-Bond Acceptors: 34
• Rotatable Bonds: 85
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2687.29
LogP ≤ 5	-1.89
H-Bond Donors ≤ 5	33
H-Bond Acceptors ≤ 10	34

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 (2S)-N-[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S,3R)-3-hydroxy-2-methylbutanoyl]amino]pentanoyl]amino]-N-methylpentanediamide;(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[6-[4-[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-6-[[(2S,3R)-2-[[(2S,3R)-2-(hexadecanoylamino)-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]piperazin-1-yl]-4-oxoquinazolin-3-yl]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[(2S)-3-(1H-indol-3-yl)-1-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]butanediamide?

The IUPAC name of (2S)-N-[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S,3R)-3-hydroxy-2-methylbutanoyl]amino]pentanoyl]amino]-N-methylpentanediamide;(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[6-[4-[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-6-[[(2S,3R)-2-[[(2S,3R)-2-(hexadecanoylamino)-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]piperazin-1-yl]-4-oxoquinazolin-3-yl]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[(2S)-3-(1H-indol-3-yl)-1-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]butanediamide (CID 159819599) is (2S)-N-[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S,3R)-3-hydroxy-2-methylbutanoyl]amino]pentanoyl]amino]-N-methylpentanediamide;(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[6-[4-[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-6-[[(2S,3R)-2-[[(2S,3R)-2-(hexadecanoylamino)-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]piperazin-1-yl]-4-oxoquinazolin-3-yl]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[(2S)-3-(1H-indol-3-yl)-1-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]butanediamide.

What is the SMILES notation for (2S)-N-[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S,3R)-3-hydroxy-2-methylbutanoyl]amino]pentanoyl]amino]-N-methylpentanediamide;(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[6-[4-[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-6-[[(2S,3R)-2-[[(2S,3R)-2-(hexadecanoylamino)-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]piperazin-1-yl]-4-oxoquinazolin-3-yl]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[(2S)-3-(1H-indol-3-yl)-1-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]butanediamide?

The canonical SMILES for (2S)-N-[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S,3R)-3-hydroxy-2-methylbutanoyl]amino]pentanoyl]amino]-N-methylpentanediamide;(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[6-[4-[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-6-[[(2S,3R)-2-[[(2S,3R)-2-(hexadecanoylamino)-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]piperazin-1-yl]-4-oxoquinazolin-3-yl]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[(2S)-3-(1H-indol-3-yl)-1-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]butanediamide is C[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O.[H]/N=C(\N)NCCC[C@H](NC(=O)Cn1cnc2ccc(N3CCN(C(=O)[C@H](CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC)[C@@H](C)O)[C@@H](C)O)NC(=O)[C@@H](N)[C@@H](C)CC)CC3)cc2c1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)NC)C(C)C.

What is the InChIKey of (2S)-N-[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S,3R)-3-hydroxy-2-methylbutanoyl]amino]pentanoyl]amino]-N-methylpentanediamide;(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[6-[4-[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-6-[[(2S,3R)-2-[[(2S,3R)-2-(hexadecanoylamino)-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]piperazin-1-yl]-4-oxoquinazolin-3-yl]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[(2S)-3-(1H-indol-3-yl)-1-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]butanediamide?

The InChIKey is NMBHQTSMXZMPLU-JBZVFGQDSA-N. The full InChI is InChI=1S/C98H150N24O18.C32H54N12O8/c1-11-13-14-15-16-17-18-19-20-21-22-23-24-34-80(127)117-85(62(9)124)95(138)119-84(61(8)123)94(137)105-41-28-27-32-73(111-92(135)82(100)60(7)12-2)97(140)121-45-43-120(44-46-121)66-37-40-71-69(51-66)96(139)122(57-109-71)55-81(128)110-72(33-29-42-106-98(101)102)86(129)115-77(50-65-54-104-56-108-65)89(132)113-75(48-63-35-38-67(125)39-36-63)88(131)112-74(47-58(3)4)87(130)116-78(52-79(99)126)90(133)114-76(91(134)118-83(59(5)6)93(136)103-10)49-64-53-107-70-31-26-25-30-68(64)70;1-17(18(2)45)27(49)41-21(6-4-14-39-31(35)36)28(50)42-22(12-13-25(33)47)30(52)44(3)24(7-5-15-40-32(37)38)29(51)43-23(26(34)48)16-19-8-10-20(46)11-9-19/h25-26,30-31,35-40,51,53-54,56-62,72-78,82-85,107,123-125H,11-24,27-29,32-34,41-50,52,55,100H2,1-10H3,(H2,99,126)(H,103,136)(H,104,108)(H,105,137)(H,110,128)(H,111,135)(H,112,131)(H,113,132)(H,114,133)(H,115,129)(H,116,130)(H,117,127)(H,118,134)(H,119,138)(H4,101,102,106);8-11,17-18,21-24,45-46H,4-7,12-16H2,1-3H3,(H2,33,47)(H2,34,48)(H,41,49)(H,42,50)(H,43,51)(H4,35,36,39)(H4,37,38,40)/t60-,61+,62+,72-,73-,74-,75-,76-,77-,78-,82-,83-,84-,85-;17-,18+,21-,22-,23-,24-/m00/s1.

What are the key properties of (2S)-N-[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S,3R)-3-hydroxy-2-methylbutanoyl]amino]pentanoyl]amino]-N-methylpentanediamide;(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[6-[4-[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-6-[[(2S,3R)-2-[[(2S,3R)-2-(hexadecanoylamino)-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]piperazin-1-yl]-4-oxoquinazolin-3-yl]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[(2S)-3-(1H-indol-3-yl)-1-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]butanediamide?

(2S)-N-[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S,3R)-3-hydroxy-2-methylbutanoyl]amino]pentanoyl]amino]-N-methylpentanediamide;(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[6-[4-[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-6-[[(2S,3R)-2-[[(2S,3R)-2-(hexadecanoylamino)-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]piperazin-1-yl]-4-oxoquinazolin-3-yl]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[(2S)-3-(1H-indol-3-yl)-1-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]butanediamide has a molecular weight of 2687.29 g/mol, XLogP of -1.89, 85 rotatable bonds, 33 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S,3R)-3-hydroxy-2-methylbutanoyl]amino]pentanoyl]amino]-N-methylpentanediamide;(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[6-[4-[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-6-[[(2S,3R)-2-[[(2S,3R)-2-(hexadecanoylamino)-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]piperazin-1-yl]-4-oxoquinazolin-3-yl]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[(2S)-3-(1H-indol-3-yl)-1-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]butanediamide is sourced from PubChem (CID 159819599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).