(3S)-3-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[2-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-[(2S)-2-[[(2S)-1-[[(2S,5S,6R)-5-[[(2S)-3-carboxy-2-(3-methylbutanoylamino)propanoyl]amino]-6-hydroxy-1-(1H-imidazol-5-yl)-3,4-dioxoheptan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]ethyl]disulfanyl]-1-[[(2S,3S)-1-[[(2S)-6-amino-1-oxo-1-[[(2S)-3-oxo-8-[[2-(2-oxoheptoxy)acetyl]amino]-1-phenyloctan-2-yl]amino]hexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]ethyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-7-methyl-4,5-dioxooctanoic acid

C132H198N26O28S2 — CID 161148347

About (3S)-3-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[2-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-[(2S)-2-[[(2S)-1-[[(2S,5S,6R)-5-[[(2S)-3-carboxy-2-(3-methylbutanoylamino)propanoyl]amino]-6-hydroxy-1-(1H-imidazol-5-yl)-3,4-dioxoheptan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]ethyl]disulfanyl]-1-[[(2S,3S)-1-[[(2S)-6-amino-1-oxo-1-[[(2S)-3-oxo-8-[[2-(2-oxoheptoxy)acetyl]amino]-1-phenyloctan-2-yl]amino]hexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]ethyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-7-methyl-4,5-dioxooctanoic acid

(3S)-3-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[2-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-[(2S)-2-[[(2S)-1-[[(2S,5S,6R)-5-[[(2S)-3-carboxy-2-(3-methylbutanoylamino)propanoyl]amino]-6-hydroxy-1-(1H-imidazol-5-yl)-3,4-dioxoheptan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]ethyl]disulfanyl]-1-[[(2S,3S)-1-[[(2S)-6-amino-1-oxo-1-[[(2S)-3-oxo-8-[[2-(2-oxoheptoxy)acetyl]amino]-1-phenyloctan-2-yl]amino]hexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]ethyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-7-methyl-4,5-dioxooctanoic acid (PubChem CID 161148347) has the molecular formula C132H198N26O28S2 and a molecular weight of 2661.32 g/mol. Its IUPAC name is (3S)-3-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[2-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-[(2S)-2-[[(2S)-1-[[(2S,5S,6R)-5-[[(2S)-3-carboxy-2-(3-methylbutanoylamino)propanoyl]amino]-6-hydroxy-1-(1H-imidazol-5-yl)-3,4-dioxoheptan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]ethyl]disulfanyl]-1-[[(2S,3S)-1-[[(2S)-6-amino-1-oxo-1-[[(2S)-3-oxo-8-[[2-(2-oxoheptoxy)acetyl]amino]-1-phenyloctan-2-yl]amino]hexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]ethyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-7-methyl-4,5-dioxooctanoic acid.

Molecular Properties

• Compound Name: (3S)-3-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[2-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-[(2S)-2-[[(2S)-1-[[(2S,5S,6R)-5-[[(2S)-3-carboxy-2-(3-methylbutanoylamino)propanoyl]amino]-6-hydroxy-1-(1H-imidazol-5-yl)-3,4-dioxoheptan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]ethyl]disulfanyl]-1-[[(2S,3S)-1-[[(2S)-6-amino-1-oxo-1-[[(2S)-3-oxo-8-[[2-(2-oxoheptoxy)acetyl]amino]-1-phenyloctan-2-yl]amino]hexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]ethyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-7-methyl-4,5-dioxooctanoic acid
• PubChem CID: 161148347
• Molecular Formula: C132H198N26O28S2
• Molecular Weight: 2661.32 g/mol
• Exact Mass: 2659.43
• IUPAC Name: (3S)-3-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[2-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-[(2S)-2-[[(2S)-1-[[(2S,5S,6R)-5-[[(2S)-3-carboxy-2-(3-methylbutanoylamino)propanoyl]amino]-6-hydroxy-1-(1H-imidazol-5-yl)-3,4-dioxoheptan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]ethyl]disulfanyl]-1-[[(2S,3S)-1-[[(2S)-6-amino-1-oxo-1-[[(2S)-3-oxo-8-[[2-(2-oxoheptoxy)acetyl]amino]-1-phenyloctan-2-yl]amino]hexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]ethyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-7-methyl-4,5-dioxooctanoic acid
• SMILES: CCCCCC(=O)COCC(=O)NCCCCCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(CSSCC(N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)CC)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)C(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)CC(C)C)[C@@H](C)O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)C(=O)CC(C)C)[C@@H](C)O)[C@@H](C)CC
• InChI: InChI=1S/C132H198N26O28S2/c1-12-15-21-48-91(161)73-186-74-110(165)139-58-37-20-30-54-105(162)95(63-85-40-22-16-23-41-85)146-121(174)93(50-32-35-56-134)144-130(183)113(81(8)13-2)153-107(158-60-39-53-104(158)129(182)152-100(66-88-46-28-19-29-47-88)125(178)150-101(68-90-72-138-78-141-90)126(179)156-116(84(11)160)132(185)148-97(69-111(166)167)117(170)106(163)61-79(4)5)75-187-188-76-108(154-114(82(9)14-3)131(184)145-94(51-33-36-57-135)122(175)149-98(64-86-42-24-17-25-43-86)123(176)143-92(120(136)173)49-31-34-55-133)157-59-38-52-103(157)128(181)151-99(65-87-44-26-18-27-45-87)124(177)147-96(67-89-71-137-77-140-89)118(171)119(172)115(83(10)159)155-127(180)102(70-112(168)169)142-109(164)62-80(6)7/h16-19,22-29,40-47,71-72,77-84,92-104,107-108,113-116,153-154,159-160H,12-15,20-21,30-39,48-70,73-76,133-135H2,1-11H3,(H2,136,173)(H,137,140)(H,138,141)(H,139,165)(H,142,164)(H,143,176)(H,144,183)(H,145,184)(H,146,174)(H,147,177)(H,148,185)(H,149,175)(H,150,178)(H,151,181)(H,152,182)(H,155,180)(H,156,179)(H,166,167)(H,168,169)/t81-,82-,83+,84+,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,107?,108?,113-,114-,115-,116-/m0/s1
• InChIKey: UOIVBRPDFSMHAS-GQTDBOACSA-N
• XLogP: 2.53
• TPSA: 843.16 Ų
• H-Bond Donors: 26
• H-Bond Acceptors: 37
• Rotatable Bonds: 95
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2661.32
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	26
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[2-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-[(2S)-2-[[(2S)-1-[[(2S,5S,6R)-5-[[(2S)-3-carboxy-2-(3-methylbutanoylamino)propanoyl]amino]-6-hydroxy-1-(1H-imidazol-5-yl)-3,4-dioxoheptan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]ethyl]disulfanyl]-1-[[(2S,3S)-1-[[(2S)-6-amino-1-oxo-1-[[(2S)-3-oxo-8-[[2-(2-oxoheptoxy)acetyl]amino]-1-phenyloctan-2-yl]amino]hexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]ethyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-7-methyl-4,5-dioxooctanoic acid?

The IUPAC name of (3S)-3-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[2-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-[(2S)-2-[[(2S)-1-[[(2S,5S,6R)-5-[[(2S)-3-carboxy-2-(3-methylbutanoylamino)propanoyl]amino]-6-hydroxy-1-(1H-imidazol-5-yl)-3,4-dioxoheptan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]ethyl]disulfanyl]-1-[[(2S,3S)-1-[[(2S)-6-amino-1-oxo-1-[[(2S)-3-oxo-8-[[2-(2-oxoheptoxy)acetyl]amino]-1-phenyloctan-2-yl]amino]hexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]ethyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-7-methyl-4,5-dioxooctanoic acid (CID 161148347) is (3S)-3-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[2-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-[(2S)-2-[[(2S)-1-[[(2S,5S,6R)-5-[[(2S)-3-carboxy-2-(3-methylbutanoylamino)propanoyl]amino]-6-hydroxy-1-(1H-imidazol-5-yl)-3,4-dioxoheptan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]ethyl]disulfanyl]-1-[[(2S,3S)-1-[[(2S)-6-amino-1-oxo-1-[[(2S)-3-oxo-8-[[2-(2-oxoheptoxy)acetyl]amino]-1-phenyloctan-2-yl]amino]hexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]ethyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-7-methyl-4,5-dioxooctanoic acid.

What is the SMILES notation for (3S)-3-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[2-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-[(2S)-2-[[(2S)-1-[[(2S,5S,6R)-5-[[(2S)-3-carboxy-2-(3-methylbutanoylamino)propanoyl]amino]-6-hydroxy-1-(1H-imidazol-5-yl)-3,4-dioxoheptan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]ethyl]disulfanyl]-1-[[(2S,3S)-1-[[(2S)-6-amino-1-oxo-1-[[(2S)-3-oxo-8-[[2-(2-oxoheptoxy)acetyl]amino]-1-phenyloctan-2-yl]amino]hexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]ethyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-7-methyl-4,5-dioxooctanoic acid?

The canonical SMILES for (3S)-3-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[2-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-[(2S)-2-[[(2S)-1-[[(2S,5S,6R)-5-[[(2S)-3-carboxy-2-(3-methylbutanoylamino)propanoyl]amino]-6-hydroxy-1-(1H-imidazol-5-yl)-3,4-dioxoheptan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]ethyl]disulfanyl]-1-[[(2S,3S)-1-[[(2S)-6-amino-1-oxo-1-[[(2S)-3-oxo-8-[[2-(2-oxoheptoxy)acetyl]amino]-1-phenyloctan-2-yl]amino]hexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]ethyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-7-methyl-4,5-dioxooctanoic acid is CCCCCC(=O)COCC(=O)NCCCCCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(CSSCC(N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)CC)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)C(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)CC(C)C)[C@@H](C)O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)C(=O)CC(C)C)[C@@H](C)O)[C@@H](C)CC.

What is the InChIKey of (3S)-3-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[2-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-[(2S)-2-[[(2S)-1-[[(2S,5S,6R)-5-[[(2S)-3-carboxy-2-(3-methylbutanoylamino)propanoyl]amino]-6-hydroxy-1-(1H-imidazol-5-yl)-3,4-dioxoheptan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]ethyl]disulfanyl]-1-[[(2S,3S)-1-[[(2S)-6-amino-1-oxo-1-[[(2S)-3-oxo-8-[[2-(2-oxoheptoxy)acetyl]amino]-1-phenyloctan-2-yl]amino]hexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]ethyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-7-methyl-4,5-dioxooctanoic acid?

The InChIKey is UOIVBRPDFSMHAS-GQTDBOACSA-N. The full InChI is InChI=1S/C132H198N26O28S2/c1-12-15-21-48-91(161)73-186-74-110(165)139-58-37-20-30-54-105(162)95(63-85-40-22-16-23-41-85)146-121(174)93(50-32-35-56-134)144-130(183)113(81(8)13-2)153-107(158-60-39-53-104(158)129(182)152-100(66-88-46-28-19-29-47-88)125(178)150-101(68-90-72-138-78-141-90)126(179)156-116(84(11)160)132(185)148-97(69-111(166)167)117(170)106(163)61-79(4)5)75-187-188-76-108(154-114(82(9)14-3)131(184)145-94(51-33-36-57-135)122(175)149-98(64-86-42-24-17-25-43-86)123(176)143-92(120(136)173)49-31-34-55-133)157-59-38-52-103(157)128(181)151-99(65-87-44-26-18-27-45-87)124(177)147-96(67-89-71-137-77-140-89)118(171)119(172)115(83(10)159)155-127(180)102(70-112(168)169)142-109(164)62-80(6)7/h16-19,22-29,40-47,71-72,77-84,92-104,107-108,113-116,153-154,159-160H,12-15,20-21,30-39,48-70,73-76,133-135H2,1-11H3,(H2,136,173)(H,137,140)(H,138,141)(H,139,165)(H,142,164)(H,143,176)(H,144,183)(H,145,184)(H,146,174)(H,147,177)(H,148,185)(H,149,175)(H,150,178)(H,151,181)(H,152,182)(H,155,180)(H,156,179)(H,166,167)(H,168,169)/t81-,82-,83+,84+,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,107?,108?,113-,114-,115-,116-/m0/s1.

What are the key properties of (3S)-3-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[2-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-[(2S)-2-[[(2S)-1-[[(2S,5S,6R)-5-[[(2S)-3-carboxy-2-(3-methylbutanoylamino)propanoyl]amino]-6-hydroxy-1-(1H-imidazol-5-yl)-3,4-dioxoheptan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]ethyl]disulfanyl]-1-[[(2S,3S)-1-[[(2S)-6-amino-1-oxo-1-[[(2S)-3-oxo-8-[[2-(2-oxoheptoxy)acetyl]amino]-1-phenyloctan-2-yl]amino]hexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]ethyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-7-methyl-4,5-dioxooctanoic acid?

(3S)-3-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[2-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-[(2S)-2-[[(2S)-1-[[(2S,5S,6R)-5-[[(2S)-3-carboxy-2-(3-methylbutanoylamino)propanoyl]amino]-6-hydroxy-1-(1H-imidazol-5-yl)-3,4-dioxoheptan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]ethyl]disulfanyl]-1-[[(2S,3S)-1-[[(2S)-6-amino-1-oxo-1-[[(2S)-3-oxo-8-[[2-(2-oxoheptoxy)acetyl]amino]-1-phenyloctan-2-yl]amino]hexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]ethyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-7-methyl-4,5-dioxooctanoic acid has a molecular weight of 2661.32 g/mol, XLogP of 2.53, 95 rotatable bonds, 26 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[2-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-[(2S)-2-[[(2S)-1-[[(2S,5S,6R)-5-[[(2S)-3-carboxy-2-(3-methylbutanoylamino)propanoyl]amino]-6-hydroxy-1-(1H-imidazol-5-yl)-3,4-dioxoheptan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]ethyl]disulfanyl]-1-[[(2S,3S)-1-[[(2S)-6-amino-1-oxo-1-[[(2S)-3-oxo-8-[[2-(2-oxoheptoxy)acetyl]amino]-1-phenyloctan-2-yl]amino]hexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]ethyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-7-methyl-4,5-dioxooctanoic acid is sourced from PubChem (CID 161148347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).