(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)-2-[[(2S)-2,3-dimethylbutanoyl]amino]-3-hydroxybutanoyl]amino]pentanoyl]amino]-N-methylpentanediamide;(2S)-5-[[(5S)-6-[4-[3-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]-4-oxoquinazolin-6-yl]piperazin-1-yl]-5-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-6-oxohexyl]amino]-2-[[(4S)-4-(16-bromohexadecanoylamino)-4-carboxybutanoyl]amino]-5-oxopentanoic acid

C132H203BrN36O28 — CID 159332121

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)-2-[[(2S)-2,3-dimethylbutanoyl]amino]-3-hydroxybutanoyl]amino]pentanoyl]amino]-N-methylpentanediamide;(2S)-5-[[(5S)-6-[4-[3-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]-4-oxoquinazolin-6-yl]piperazin-1-yl]-5-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-6-oxohexyl]amino]-2-[[(4S)-4-(16-bromohexadecanoylamino)-4-carboxybutanoyl]amino]-5-oxopentanoic acid

(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)-2-[[(2S)-2,3-dimethylbutanoyl]amino]-3-hydroxybutanoyl]amino]pentanoyl]amino]-N-methylpentanediamide;(2S)-5-[[(5S)-6-[4-[3-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]-4-oxoquinazolin-6-yl]piperazin-1-yl]-5-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-6-oxohexyl]amino]-2-[[(4S)-4-(16-bromohexadecanoylamino)-4-carboxybutanoyl]amino]-5-oxopentanoic acid (PubChem CID 159332121) has the molecular formula C132H203BrN36O28 and a molecular weight of 2822.20 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)-2-[[(2S)-2,3-dimethylbutanoyl]amino]-3-hydroxybutanoyl]amino]pentanoyl]amino]-N-methylpentanediamide;(2S)-5-[[(5S)-6-[4-[3-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]-4-oxoquinazolin-6-yl]piperazin-1-yl]-5-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-6-oxohexyl]amino]-2-[[(4S)-4-(16-bromohexadecanoylamino)-4-carboxybutanoyl]amino]-5-oxopentanoic acid.

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)-2-[[(2S)-2,3-dimethylbutanoyl]amino]-3-hydroxybutanoyl]amino]pentanoyl]amino]-N-methylpentanediamide;(2S)-5-[[(5S)-6-[4-[3-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]-4-oxoquinazolin-6-yl]piperazin-1-yl]-5-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-6-oxohexyl]amino]-2-[[(4S)-4-(16-bromohexadecanoylamino)-4-carboxybutanoyl]amino]-5-oxopentanoic acid
• PubChem CID: 159332121
• Molecular Formula: C132H203BrN36O28
• Molecular Weight: 2822.20 g/mol
• Exact Mass: 2819.48
• 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)-2-[[(2S)-2,3-dimethylbutanoyl]amino]-3-hydroxybutanoyl]amino]pentanoyl]amino]-N-methylpentanediamide;(2S)-5-[[(5S)-6-[4-[3-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]-4-oxoquinazolin-6-yl]piperazin-1-yl]-5-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-6-oxohexyl]amino]-2-[[(4S)-4-(16-bromohexadecanoylamino)-4-carboxybutanoyl]amino]-5-oxopentanoic acid
• SMILES: CC(C)[C@H](C)C(=O)N[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)CC[C@H](NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCBr)C(=O)O)C(=O)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)NC
• InChI: InChI=1S/C95H140BrN23O19.C37H63N13O9/c1-6-59(4)83(98)90(132)111-70(27-21-23-41-103-79(122)38-36-71(93(135)136)110-81(124)39-37-72(94(137)138)109-80(123)29-18-16-14-12-10-8-7-9-11-13-15-17-22-40-96)92(134)118-45-43-117(44-46-118)63-32-35-68-66(51-63)91(133)119(57-107-68)55-82(125)108-69(28-24-42-104-95(99)100)85(127)115-76(50-62-54-102-56-106-62)88(130)113-74(48-60-30-33-64(120)34-31-60)87(129)112-73(47-58(2)3)86(128)116-77(52-78(97)121)89(131)114-75(84(126)101-5)49-61-53-105-67-26-20-19-25-65(61)67;1-19(2)20(3)31(55)49-29(21(4)51)34(58)46-24(8-6-16-44-36(40)41)32(56)47-25(14-15-28(38)53)35(59)50(5)27(9-7-17-45-37(42)43)33(57)48-26(30(39)54)18-22-10-12-23(52)13-11-22/h19-20,25-26,30-35,51,53-54,56-59,69-77,83,105,120H,6-18,21-24,27-29,36-50,52,55,98H2,1-5H3,(H2,97,121)(H,101,126)(H,102,106)(H,103,122)(H,108,125)(H,109,123)(H,110,124)(H,111,132)(H,112,129)(H,113,130)(H,114,131)(H,115,127)(H,116,128)(H,135,136)(H,137,138)(H4,99,100,104);10-13,19-21,24-27,29,51-52H,6-9,14-18H2,1-5H3,(H2,38,53)(H2,39,54)(H,46,58)(H,47,56)(H,48,57)(H,49,55)(H4,40,41,44)(H4,42,43,45)/t59-,69-,70-,71-,72-,73-,74-,75-,76-,77-,83-;20-,21+,24-,25-,26-,27-,29-/m00/s1
• InChIKey: LFBYHYXVTJHWEW-YEFNKNJOSA-N
• XLogP: -0.55
• TPSA: 1041.00 Ų
• H-Bond Donors: 33
• H-Bond Acceptors: 34
• Rotatable Bonds: 90
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2822.20
LogP ≤ 5	-0.55
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': 'alkyl_halide', '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)-2-[[(2S)-2,3-dimethylbutanoyl]amino]-3-hydroxybutanoyl]amino]pentanoyl]amino]-N-methylpentanediamide;(2S)-5-[[(5S)-6-[4-[3-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]-4-oxoquinazolin-6-yl]piperazin-1-yl]-5-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-6-oxohexyl]amino]-2-[[(4S)-4-(16-bromohexadecanoylamino)-4-carboxybutanoyl]amino]-5-oxopentanoic acid?

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)-2-[[(2S)-2,3-dimethylbutanoyl]amino]-3-hydroxybutanoyl]amino]pentanoyl]amino]-N-methylpentanediamide;(2S)-5-[[(5S)-6-[4-[3-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]-4-oxoquinazolin-6-yl]piperazin-1-yl]-5-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-6-oxohexyl]amino]-2-[[(4S)-4-(16-bromohexadecanoylamino)-4-carboxybutanoyl]amino]-5-oxopentanoic acid (CID 159332121) 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)-2-[[(2S)-2,3-dimethylbutanoyl]amino]-3-hydroxybutanoyl]amino]pentanoyl]amino]-N-methylpentanediamide;(2S)-5-[[(5S)-6-[4-[3-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]-4-oxoquinazolin-6-yl]piperazin-1-yl]-5-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-6-oxohexyl]amino]-2-[[(4S)-4-(16-bromohexadecanoylamino)-4-carboxybutanoyl]amino]-5-oxopentanoic acid.

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)-2-[[(2S)-2,3-dimethylbutanoyl]amino]-3-hydroxybutanoyl]amino]pentanoyl]amino]-N-methylpentanediamide;(2S)-5-[[(5S)-6-[4-[3-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]-4-oxoquinazolin-6-yl]piperazin-1-yl]-5-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-6-oxohexyl]amino]-2-[[(4S)-4-(16-bromohexadecanoylamino)-4-carboxybutanoyl]amino]-5-oxopentanoic acid?

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)-2-[[(2S)-2,3-dimethylbutanoyl]amino]-3-hydroxybutanoyl]amino]pentanoyl]amino]-N-methylpentanediamide;(2S)-5-[[(5S)-6-[4-[3-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]-4-oxoquinazolin-6-yl]piperazin-1-yl]-5-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-6-oxohexyl]amino]-2-[[(4S)-4-(16-bromohexadecanoylamino)-4-carboxybutanoyl]amino]-5-oxopentanoic acid is CC(C)[C@H](C)C(=O)N[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)CC[C@H](NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCBr)C(=O)O)C(=O)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)NC.

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)-2-[[(2S)-2,3-dimethylbutanoyl]amino]-3-hydroxybutanoyl]amino]pentanoyl]amino]-N-methylpentanediamide;(2S)-5-[[(5S)-6-[4-[3-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]-4-oxoquinazolin-6-yl]piperazin-1-yl]-5-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-6-oxohexyl]amino]-2-[[(4S)-4-(16-bromohexadecanoylamino)-4-carboxybutanoyl]amino]-5-oxopentanoic acid?

The InChIKey is LFBYHYXVTJHWEW-YEFNKNJOSA-N. The full InChI is InChI=1S/C95H140BrN23O19.C37H63N13O9/c1-6-59(4)83(98)90(132)111-70(27-21-23-41-103-79(122)38-36-71(93(135)136)110-81(124)39-37-72(94(137)138)109-80(123)29-18-16-14-12-10-8-7-9-11-13-15-17-22-40-96)92(134)118-45-43-117(44-46-118)63-32-35-68-66(51-63)91(133)119(57-107-68)55-82(125)108-69(28-24-42-104-95(99)100)85(127)115-76(50-62-54-102-56-106-62)88(130)113-74(48-60-30-33-64(120)34-31-60)87(129)112-73(47-58(2)3)86(128)116-77(52-78(97)121)89(131)114-75(84(126)101-5)49-61-53-105-67-26-20-19-25-65(61)67;1-19(2)20(3)31(55)49-29(21(4)51)34(58)46-24(8-6-16-44-36(40)41)32(56)47-25(14-15-28(38)53)35(59)50(5)27(9-7-17-45-37(42)43)33(57)48-26(30(39)54)18-22-10-12-23(52)13-11-22/h19-20,25-26,30-35,51,53-54,56-59,69-77,83,105,120H,6-18,21-24,27-29,36-50,52,55,98H2,1-5H3,(H2,97,121)(H,101,126)(H,102,106)(H,103,122)(H,108,125)(H,109,123)(H,110,124)(H,111,132)(H,112,129)(H,113,130)(H,114,131)(H,115,127)(H,116,128)(H,135,136)(H,137,138)(H4,99,100,104);10-13,19-21,24-27,29,51-52H,6-9,14-18H2,1-5H3,(H2,38,53)(H2,39,54)(H,46,58)(H,47,56)(H,48,57)(H,49,55)(H4,40,41,44)(H4,42,43,45)/t59-,69-,70-,71-,72-,73-,74-,75-,76-,77-,83-;20-,21+,24-,25-,26-,27-,29-/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)-2-[[(2S)-2,3-dimethylbutanoyl]amino]-3-hydroxybutanoyl]amino]pentanoyl]amino]-N-methylpentanediamide;(2S)-5-[[(5S)-6-[4-[3-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]-4-oxoquinazolin-6-yl]piperazin-1-yl]-5-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-6-oxohexyl]amino]-2-[[(4S)-4-(16-bromohexadecanoylamino)-4-carboxybutanoyl]amino]-5-oxopentanoic acid?

(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)-2-[[(2S)-2,3-dimethylbutanoyl]amino]-3-hydroxybutanoyl]amino]pentanoyl]amino]-N-methylpentanediamide;(2S)-5-[[(5S)-6-[4-[3-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]-4-oxoquinazolin-6-yl]piperazin-1-yl]-5-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-6-oxohexyl]amino]-2-[[(4S)-4-(16-bromohexadecanoylamino)-4-carboxybutanoyl]amino]-5-oxopentanoic acid has a molecular weight of 2822.20 g/mol, XLogP of -0.55, 90 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)-2-[[(2S)-2,3-dimethylbutanoyl]amino]-3-hydroxybutanoyl]amino]pentanoyl]amino]-N-methylpentanediamide;(2S)-5-[[(5S)-6-[4-[3-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]-4-oxoquinazolin-6-yl]piperazin-1-yl]-5-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-6-oxohexyl]amino]-2-[[(4S)-4-(16-bromohexadecanoylamino)-4-carboxybutanoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 159332121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).