(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-(methylamino)butanoyl]amino]pentanoyl]amino]-N-methylpentanediamide;(4S)-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-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-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]-4-(dodecanoylamino)-5-oxopentanoic acid

C123H189N35O25 — CID 161493664

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-(methylamino)butanoyl]amino]pentanoyl]amino]-N-methylpentanediamide;(4S)-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-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-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]-4-(dodecanoylamino)-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)-3-hydroxy-2-(methylamino)butanoyl]amino]pentanoyl]amino]-N-methylpentanediamide;(4S)-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-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-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]-4-(dodecanoylamino)-5-oxopentanoic acid (PubChem CID 161493664) has the molecular formula C123H189N35O25 and a molecular weight of 2558.08 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-(methylamino)butanoyl]amino]pentanoyl]amino]-N-methylpentanediamide;(4S)-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-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-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]-4-(dodecanoylamino)-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)-3-hydroxy-2-(methylamino)butanoyl]amino]pentanoyl]amino]-N-methylpentanediamide;(4S)-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-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-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]-4-(dodecanoylamino)-5-oxopentanoic acid
• PubChem CID: 161493664
• Molecular Formula: C123H189N35O25
• Molecular Weight: 2558.08 g/mol
• Exact Mass: 2556.46
• 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-(methylamino)butanoyl]amino]pentanoyl]amino]-N-methylpentanediamide;(4S)-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-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-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]-4-(dodecanoylamino)-5-oxopentanoic acid
• SMILES: CN[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](CCC(=O)O)NC(=O)CCCCCCCCCCC)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(C)=O)C(C)C
• InChI: InChI=1S/C91H134N22O17.C32H55N13O8/c1-9-11-12-13-14-15-16-17-18-28-76(117)102-68(35-36-78(119)120)81(121)97-37-22-21-26-69(104-88(128)79(93)56(7)10-2)90(130)112-41-39-111(40-42-112)61-31-34-66-64(47-61)89(129)113(53-101-66)51-77(118)103-67(27-23-38-98-91(94)95)82(122)108-73(46-60-50-96-52-100-60)85(125)106-71(44-58-29-32-62(115)33-30-58)84(124)105-70(43-54(3)4)83(123)109-74(48-75(92)116)86(126)107-72(87(127)110-80(55(5)6)57(8)114)45-59-49-99-65-25-20-19-24-63(59)65;1-17(46)25(39-2)29(52)42-20(6-4-14-40-31(35)36)27(50)43-21(12-13-24(33)48)30(53)45(3)23(7-5-15-41-32(37)38)28(51)44-22(26(34)49)16-18-8-10-19(47)11-9-18/h19-20,24-25,29-34,47,49-50,52-56,67-74,79-80,99,115H,9-18,21-23,26-28,35-46,48,51,93H2,1-8H3,(H2,92,116)(H,96,100)(H,97,121)(H,102,117)(H,103,118)(H,104,128)(H,105,124)(H,106,125)(H,107,126)(H,108,122)(H,109,123)(H,110,127)(H,119,120)(H4,94,95,98);8-11,17,20-23,25,39,46-47H,4-7,12-16H2,1-3H3,(H2,33,48)(H2,34,49)(H,42,52)(H,43,50)(H,44,51)(H4,35,36,40)(H4,37,38,41)/t56-,67-,68-,69-,70-,71-,72-,73-,74-,79-,80-;17-,20+,21+,22+,23+,25+/m01/s1
• InChIKey: WFXQDPZNJGJGQB-QMRMKVDGSA-N
• XLogP: -2.04
• TPSA: 974.60 Ų
• H-Bond Donors: 31
• H-Bond Acceptors: 33
• Rotatable Bonds: 81
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2558.08
LogP ≤ 5	-2.04
H-Bond Donors ≤ 5	31
H-Bond Acceptors ≤ 10	33

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-(methylamino)butanoyl]amino]pentanoyl]amino]-N-methylpentanediamide;(4S)-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-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-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]-4-(dodecanoylamino)-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)-3-hydroxy-2-(methylamino)butanoyl]amino]pentanoyl]amino]-N-methylpentanediamide;(4S)-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-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-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]-4-(dodecanoylamino)-5-oxopentanoic acid (CID 161493664) 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-(methylamino)butanoyl]amino]pentanoyl]amino]-N-methylpentanediamide;(4S)-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-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-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]-4-(dodecanoylamino)-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)-3-hydroxy-2-(methylamino)butanoyl]amino]pentanoyl]amino]-N-methylpentanediamide;(4S)-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-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-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]-4-(dodecanoylamino)-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)-3-hydroxy-2-(methylamino)butanoyl]amino]pentanoyl]amino]-N-methylpentanediamide;(4S)-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-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-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]-4-(dodecanoylamino)-5-oxopentanoic acid is CN[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](CCC(=O)O)NC(=O)CCCCCCCCCCC)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(C)=O)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-(methylamino)butanoyl]amino]pentanoyl]amino]-N-methylpentanediamide;(4S)-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-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-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]-4-(dodecanoylamino)-5-oxopentanoic acid?

The InChIKey is WFXQDPZNJGJGQB-QMRMKVDGSA-N. The full InChI is InChI=1S/C91H134N22O17.C32H55N13O8/c1-9-11-12-13-14-15-16-17-18-28-76(117)102-68(35-36-78(119)120)81(121)97-37-22-21-26-69(104-88(128)79(93)56(7)10-2)90(130)112-41-39-111(40-42-112)61-31-34-66-64(47-61)89(129)113(53-101-66)51-77(118)103-67(27-23-38-98-91(94)95)82(122)108-73(46-60-50-96-52-100-60)85(125)106-71(44-58-29-32-62(115)33-30-58)84(124)105-70(43-54(3)4)83(123)109-74(48-75(92)116)86(126)107-72(87(127)110-80(55(5)6)57(8)114)45-59-49-99-65-25-20-19-24-63(59)65;1-17(46)25(39-2)29(52)42-20(6-4-14-40-31(35)36)27(50)43-21(12-13-24(33)48)30(53)45(3)23(7-5-15-41-32(37)38)28(51)44-22(26(34)49)16-18-8-10-19(47)11-9-18/h19-20,24-25,29-34,47,49-50,52-56,67-74,79-80,99,115H,9-18,21-23,26-28,35-46,48,51,93H2,1-8H3,(H2,92,116)(H,96,100)(H,97,121)(H,102,117)(H,103,118)(H,104,128)(H,105,124)(H,106,125)(H,107,126)(H,108,122)(H,109,123)(H,110,127)(H,119,120)(H4,94,95,98);8-11,17,20-23,25,39,46-47H,4-7,12-16H2,1-3H3,(H2,33,48)(H2,34,49)(H,42,52)(H,43,50)(H,44,51)(H4,35,36,40)(H4,37,38,41)/t56-,67-,68-,69-,70-,71-,72-,73-,74-,79-,80-;17-,20+,21+,22+,23+,25+/m01/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-(methylamino)butanoyl]amino]pentanoyl]amino]-N-methylpentanediamide;(4S)-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-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-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]-4-(dodecanoylamino)-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)-3-hydroxy-2-(methylamino)butanoyl]amino]pentanoyl]amino]-N-methylpentanediamide;(4S)-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-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-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]-4-(dodecanoylamino)-5-oxopentanoic acid has a molecular weight of 2558.08 g/mol, XLogP of -2.04, 81 rotatable bonds, 31 hydrogen bond donors, and 33 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-(methylamino)butanoyl]amino]pentanoyl]amino]-N-methylpentanediamide;(4S)-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-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-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]-4-(dodecanoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 161493664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).