4-[[(2S)-2-[[2-[2-[6-[[1-[[(2S)-1-[[1-[[(2S,3R)-1-[[5-amino-1-[[(2S)-1-[[1-[(2S)-2-[[(2S)-6-amino-1-[[1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-(methylamino)-6-oxohexyl]hydrazinyl]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-5-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[(1-hydroxy-3-oxopropan-2-yl)amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

C95H153N27O29 — CID 158225819

About 4-[[(2S)-2-[[2-[2-[6-[[1-[[(2S)-1-[[1-[[(2S,3R)-1-[[5-amino-1-[[(2S)-1-[[1-[(2S)-2-[[(2S)-6-amino-1-[[1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-(methylamino)-6-oxohexyl]hydrazinyl]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-5-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[(1-hydroxy-3-oxopropan-2-yl)amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

4-[[(2S)-2-[[2-[2-[6-[[1-[[(2S)-1-[[1-[[(2S,3R)-1-[[5-amino-1-[[(2S)-1-[[1-[(2S)-2-[[(2S)-6-amino-1-[[1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-(methylamino)-6-oxohexyl]hydrazinyl]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-5-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[(1-hydroxy-3-oxopropan-2-yl)amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid (PubChem CID 158225819) has the molecular formula C95H153N27O29 and a molecular weight of 2137.43 g/mol. Its IUPAC name is 4-[[(2S)-2-[[2-[2-[6-[[1-[[(2S)-1-[[1-[[(2S,3R)-1-[[5-amino-1-[[(2S)-1-[[1-[(2S)-2-[[(2S)-6-amino-1-[[1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-(methylamino)-6-oxohexyl]hydrazinyl]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-5-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[(1-hydroxy-3-oxopropan-2-yl)amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: 4-[[(2S)-2-[[2-[2-[6-[[1-[[(2S)-1-[[1-[[(2S,3R)-1-[[5-amino-1-[[(2S)-1-[[1-[(2S)-2-[[(2S)-6-amino-1-[[1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-(methylamino)-6-oxohexyl]hydrazinyl]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-5-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[(1-hydroxy-3-oxopropan-2-yl)amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
• PubChem CID: 158225819
• Molecular Formula: C95H153N27O29
• Molecular Weight: 2137.43 g/mol
• Exact Mass: 2136.13
• IUPAC Name: 4-[[(2S)-2-[[2-[2-[6-[[1-[[(2S)-1-[[1-[[(2S,3R)-1-[[5-amino-1-[[(2S)-1-[[1-[(2S)-2-[[(2S)-6-amino-1-[[1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-(methylamino)-6-oxohexyl]hydrazinyl]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-5-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[(1-hydroxy-3-oxopropan-2-yl)amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
• SMILES: [H]/N=C(\N)NCCC[C@H](NC(=O)C(Cc1ccccc1)NC(=O)C(CCCCNNC(Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)NC(CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)NC(C=O)CO)[C@@H](C)O)NC)C(=O)NC(C(=O)N[C@H](C(=O)NC(CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)NC(C)C(=O)N[C@H](C=O)CCC(N)=O)[C@@H](C)O)C(C)C
• InChI: InChI=1S/C95H153N27O29/c1-49(2)40-64(84(141)106-52(6)94(151)122-39-21-29-70(122)90(147)111-60(27-16-18-36-96)80(137)105-51(5)78(135)107-57(44-123)30-33-71(97)130)113-81(138)62(31-34-72(98)131)112-92(149)77(54(8)129)120-91(148)75(50(3)4)118-83(140)61(28-20-37-103-95(100)101)109-86(143)65(41-55-22-12-10-13-23-55)114-79(136)59(102-9)26-17-19-38-104-121-67(42-56-24-14-11-15-25-56)87(144)117-68(47-126)88(145)110-63(32-35-74(133)134)82(139)116-69(48-127)89(146)119-76(53(7)128)93(150)115-66(43-73(99)132)85(142)108-58(45-124)46-125/h10-15,22-25,44-45,49-54,57-70,75-77,102,104,121,125-129H,16-21,26-43,46-48,96H2,1-9H3,(H2,97,130)(H2,98,131)(H2,99,132)(H,105,137)(H,106,141)(H,107,135)(H,108,142)(H,109,143)(H,110,145)(H,111,147)(H,112,149)(H,113,138)(H,114,136)(H,115,150)(H,116,139)(H,117,144)(H,118,140)(H,119,146)(H,120,148)(H,133,134)(H4,100,101,103)/t51?,52?,53-,54-,57+,58?,59?,60+,61+,62?,63?,64+,65?,66+,67?,68+,69+,70+,75?,76+,77+/m1/s1
• InChIKey: HAJSRIQITXCLOY-TUTVKAMISA-N
• XLogP: -12.02
• TPSA: 911.78 Ų
• H-Bond Donors: 32
• H-Bond Acceptors: 33
• Rotatable Bonds: 74
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2137.43
LogP ≤ 5	-12.02
H-Bond Donors ≤ 5	32
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-[[2-[2-[6-[[1-[[(2S)-1-[[1-[[(2S,3R)-1-[[5-amino-1-[[(2S)-1-[[1-[(2S)-2-[[(2S)-6-amino-1-[[1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-(methylamino)-6-oxohexyl]hydrazinyl]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-5-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[(1-hydroxy-3-oxopropan-2-yl)amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid?

The IUPAC name of 4-[[(2S)-2-[[2-[2-[6-[[1-[[(2S)-1-[[1-[[(2S,3R)-1-[[5-amino-1-[[(2S)-1-[[1-[(2S)-2-[[(2S)-6-amino-1-[[1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-(methylamino)-6-oxohexyl]hydrazinyl]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-5-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[(1-hydroxy-3-oxopropan-2-yl)amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid (CID 158225819) is 4-[[(2S)-2-[[2-[2-[6-[[1-[[(2S)-1-[[1-[[(2S,3R)-1-[[5-amino-1-[[(2S)-1-[[1-[(2S)-2-[[(2S)-6-amino-1-[[1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-(methylamino)-6-oxohexyl]hydrazinyl]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-5-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[(1-hydroxy-3-oxopropan-2-yl)amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid.

What is the SMILES notation for 4-[[(2S)-2-[[2-[2-[6-[[1-[[(2S)-1-[[1-[[(2S,3R)-1-[[5-amino-1-[[(2S)-1-[[1-[(2S)-2-[[(2S)-6-amino-1-[[1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-(methylamino)-6-oxohexyl]hydrazinyl]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-5-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[(1-hydroxy-3-oxopropan-2-yl)amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid?

The canonical SMILES for 4-[[(2S)-2-[[2-[2-[6-[[1-[[(2S)-1-[[1-[[(2S,3R)-1-[[5-amino-1-[[(2S)-1-[[1-[(2S)-2-[[(2S)-6-amino-1-[[1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-(methylamino)-6-oxohexyl]hydrazinyl]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-5-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[(1-hydroxy-3-oxopropan-2-yl)amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid is [H]/N=C(\N)NCCC[C@H](NC(=O)C(Cc1ccccc1)NC(=O)C(CCCCNNC(Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)NC(CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)NC(C=O)CO)[C@@H](C)O)NC)C(=O)NC(C(=O)N[C@H](C(=O)NC(CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)NC(C)C(=O)N[C@H](C=O)CCC(N)=O)[C@@H](C)O)C(C)C.

What is the InChIKey of 4-[[(2S)-2-[[2-[2-[6-[[1-[[(2S)-1-[[1-[[(2S,3R)-1-[[5-amino-1-[[(2S)-1-[[1-[(2S)-2-[[(2S)-6-amino-1-[[1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-(methylamino)-6-oxohexyl]hydrazinyl]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-5-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[(1-hydroxy-3-oxopropan-2-yl)amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid?

The InChIKey is HAJSRIQITXCLOY-TUTVKAMISA-N. The full InChI is InChI=1S/C95H153N27O29/c1-49(2)40-64(84(141)106-52(6)94(151)122-39-21-29-70(122)90(147)111-60(27-16-18-36-96)80(137)105-51(5)78(135)107-57(44-123)30-33-71(97)130)113-81(138)62(31-34-72(98)131)112-92(149)77(54(8)129)120-91(148)75(50(3)4)118-83(140)61(28-20-37-103-95(100)101)109-86(143)65(41-55-22-12-10-13-23-55)114-79(136)59(102-9)26-17-19-38-104-121-67(42-56-24-14-11-15-25-56)87(144)117-68(47-126)88(145)110-63(32-35-74(133)134)82(139)116-69(48-127)89(146)119-76(53(7)128)93(150)115-66(43-73(99)132)85(142)108-58(45-124)46-125/h10-15,22-25,44-45,49-54,57-70,75-77,102,104,121,125-129H,16-21,26-43,46-48,96H2,1-9H3,(H2,97,130)(H2,98,131)(H2,99,132)(H,105,137)(H,106,141)(H,107,135)(H,108,142)(H,109,143)(H,110,145)(H,111,147)(H,112,149)(H,113,138)(H,114,136)(H,115,150)(H,116,139)(H,117,144)(H,118,140)(H,119,146)(H,120,148)(H,133,134)(H4,100,101,103)/t51?,52?,53-,54-,57+,58?,59?,60+,61+,62?,63?,64+,65?,66+,67?,68+,69+,70+,75?,76+,77+/m1/s1.

What are the key properties of 4-[[(2S)-2-[[2-[2-[6-[[1-[[(2S)-1-[[1-[[(2S,3R)-1-[[5-amino-1-[[(2S)-1-[[1-[(2S)-2-[[(2S)-6-amino-1-[[1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-(methylamino)-6-oxohexyl]hydrazinyl]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-5-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[(1-hydroxy-3-oxopropan-2-yl)amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid?

4-[[(2S)-2-[[2-[2-[6-[[1-[[(2S)-1-[[1-[[(2S,3R)-1-[[5-amino-1-[[(2S)-1-[[1-[(2S)-2-[[(2S)-6-amino-1-[[1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-(methylamino)-6-oxohexyl]hydrazinyl]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-5-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[(1-hydroxy-3-oxopropan-2-yl)amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid has a molecular weight of 2137.43 g/mol, XLogP of -12.02, 74 rotatable bonds, 32 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[(2S)-2-[[2-[2-[6-[[1-[[(2S)-1-[[1-[[(2S,3R)-1-[[5-amino-1-[[(2S)-1-[[1-[(2S)-2-[[(2S)-6-amino-1-[[1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-(methylamino)-6-oxohexyl]hydrazinyl]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-5-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[(1-hydroxy-3-oxopropan-2-yl)amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 158225819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).