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-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]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-methyl-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

C112H182N30O34 — CID 58571227

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-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]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-methyl-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-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]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-methyl-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 58571227) has the molecular formula C112H182N30O34 and a molecular weight of 2492.86 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-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]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-methyl-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-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]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-methyl-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: 58571227
• Molecular Formula: C112H182N30O34
• Molecular Weight: 2492.86 g/mol
• Exact Mass: 2491.34
• 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-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]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-methyl-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(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)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](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C=O)CCC(=O)O)[C@@H](C)CC)[C@@H](C)O)C(C)C
• InChI: InChI=1S/C112H182N30O34/c1-12-60(6)89(108(173)130-71(33-20-23-45-114)95(160)124-68(53-143)36-42-86(153)154)138-99(164)74(38-41-84(116)151)126-93(158)62(8)122-94(159)70(32-19-22-44-113)129-106(171)82-35-26-48-142(82)111(176)63(9)123-100(165)76(49-58(2)3)133-96(161)73(37-40-83(115)150)131-109(174)91(65(11)149)140-107(172)88(59(4)5)137-98(163)72(34-25-46-120-112(118)119)127-102(167)77(50-66-28-15-13-16-29-66)132-92(157)61(7)27-21-24-47-121-141-79(51-67-30-17-14-18-31-67)103(168)136-80(56-146)104(169)128-75(39-43-87(155)156)97(162)135-81(57-147)105(170)139-90(64(10)148)110(175)134-78(52-85(117)152)101(166)125-69(54-144)55-145/h13-18,28-31,53-54,58-65,68-82,88-91,121,141,145-149H,12,19-27,32-52,55-57,113-114H2,1-11H3,(H2,115,150)(H2,116,151)(H2,117,152)(H,122,159)(H,123,165)(H,124,160)(H,125,166)(H,126,158)(H,127,167)(H,128,169)(H,129,171)(H,130,173)(H,131,174)(H,132,157)(H,133,161)(H,134,175)(H,135,162)(H,136,168)(H,137,163)(H,138,164)(H,139,170)(H,140,172)(H,153,154)(H,155,156)(H4,118,119,120)/t60-,61?,62?,63?,64+,65+,68-,69?,70-,71-,72-,73?,74-,75?,76-,77?,78-,79?,80-,81-,82-,88?,89-,90-,91-/m0/s1
• InChIKey: BHTRPHYAMXMMEG-BCADMBHHSA-N
• XLogP: -11.48
• TPSA: 1050.37 Ų
• H-Bond Donors: 36
• H-Bond Acceptors: 37
• Rotatable Bonds: 88
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2492.86
LogP ≤ 5	-11.48
H-Bond Donors ≤ 5	36
H-Bond Acceptors ≤ 10	37

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-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]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-methyl-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-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]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-methyl-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 58571227) 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-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]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-methyl-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-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]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-methyl-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-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]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-methyl-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(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)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](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C=O)CCC(=O)O)[C@@H](C)CC)[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-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]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-methyl-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 BHTRPHYAMXMMEG-BCADMBHHSA-N. The full InChI is InChI=1S/C112H182N30O34/c1-12-60(6)89(108(173)130-71(33-20-23-45-114)95(160)124-68(53-143)36-42-86(153)154)138-99(164)74(38-41-84(116)151)126-93(158)62(8)122-94(159)70(32-19-22-44-113)129-106(171)82-35-26-48-142(82)111(176)63(9)123-100(165)76(49-58(2)3)133-96(161)73(37-40-83(115)150)131-109(174)91(65(11)149)140-107(172)88(59(4)5)137-98(163)72(34-25-46-120-112(118)119)127-102(167)77(50-66-28-15-13-16-29-66)132-92(157)61(7)27-21-24-47-121-141-79(51-67-30-17-14-18-31-67)103(168)136-80(56-146)104(169)128-75(39-43-87(155)156)97(162)135-81(57-147)105(170)139-90(64(10)148)110(175)134-78(52-85(117)152)101(166)125-69(54-144)55-145/h13-18,28-31,53-54,58-65,68-82,88-91,121,141,145-149H,12,19-27,32-52,55-57,113-114H2,1-11H3,(H2,115,150)(H2,116,151)(H2,117,152)(H,122,159)(H,123,165)(H,124,160)(H,125,166)(H,126,158)(H,127,167)(H,128,169)(H,129,171)(H,130,173)(H,131,174)(H,132,157)(H,133,161)(H,134,175)(H,135,162)(H,136,168)(H,137,163)(H,138,164)(H,139,170)(H,140,172)(H,153,154)(H,155,156)(H4,118,119,120)/t60-,61?,62?,63?,64+,65+,68-,69?,70-,71-,72-,73?,74-,75?,76-,77?,78-,79?,80-,81-,82-,88?,89-,90-,91-/m0/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-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]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-methyl-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-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]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-methyl-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 2492.86 g/mol, XLogP of -11.48, 88 rotatable bonds, 36 hydrogen bond donors, and 37 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-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]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-methyl-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 58571227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).