benzyl (2S)-2-[[1-[[(1S)-1-cyclopentyl-2-[[(3S)-1-[[(4S,7S,8S)-7-[[(2S)-1-[(2S)-2-[ethyl-[(2S)-1-[methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-(4-methylphenyl)-1-oxopropan-2-yl]carbamoyl]azetidin-1-yl]-1-oxopropan-2-yl]-methylcarbamoyl]-2,8-dimethyl-5-oxodecan-4-yl]-methylamino]-1,4-dioxopentan-3-yl]-methylamino]-2-oxoethyl]-methylcarbamoyl]cyclopentyl]carbamoyl]pyrrolidine-1-carboxylate;2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,5S)-2-[(2S)-butan-2-yl]-5-[[(3S)-3-[[(2S)-2-cyclopentyl-2-[methyl-[1-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]cyclopentanecarbonyl]amino]acetyl]-methylamino]-4-oxopentanoyl]-methylamino]-7-methyl-4-oxooctanoyl]-methylamino]propanoyl]azetidine-2-carbonyl]-ethylamino]-3-(4-methylphenyl)propanoyl]-methylamino]acetic acid

C144H214N18O28 — CID 167598590

About benzyl (2S)-2-[[1-[[(1S)-1-cyclopentyl-2-[[(3S)-1-[[(4S,7S,8S)-7-[[(2S)-1-[(2S)-2-[ethyl-[(2S)-1-[methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-(4-methylphenyl)-1-oxopropan-2-yl]carbamoyl]azetidin-1-yl]-1-oxopropan-2-yl]-methylcarbamoyl]-2,8-dimethyl-5-oxodecan-4-yl]-methylamino]-1,4-dioxopentan-3-yl]-methylamino]-2-oxoethyl]-methylcarbamoyl]cyclopentyl]carbamoyl]pyrrolidine-1-carboxylate;2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,5S)-2-[(2S)-butan-2-yl]-5-[[(3S)-3-[[(2S)-2-cyclopentyl-2-[methyl-[1-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]cyclopentanecarbonyl]amino]acetyl]-methylamino]-4-oxopentanoyl]-methylamino]-7-methyl-4-oxooctanoyl]-methylamino]propanoyl]azetidine-2-carbonyl]-ethylamino]-3-(4-methylphenyl)propanoyl]-methylamino]acetic acid

benzyl (2S)-2-[[1-[[(1S)-1-cyclopentyl-2-[[(3S)-1-[[(4S,7S,8S)-7-[[(2S)-1-[(2S)-2-[ethyl-[(2S)-1-[methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-(4-methylphenyl)-1-oxopropan-2-yl]carbamoyl]azetidin-1-yl]-1-oxopropan-2-yl]-methylcarbamoyl]-2,8-dimethyl-5-oxodecan-4-yl]-methylamino]-1,4-dioxopentan-3-yl]-methylamino]-2-oxoethyl]-methylcarbamoyl]cyclopentyl]carbamoyl]pyrrolidine-1-carboxylate;2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,5S)-2-[(2S)-butan-2-yl]-5-[[(3S)-3-[[(2S)-2-cyclopentyl-2-[methyl-[1-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]cyclopentanecarbonyl]amino]acetyl]-methylamino]-4-oxopentanoyl]-methylamino]-7-methyl-4-oxooctanoyl]-methylamino]propanoyl]azetidine-2-carbonyl]-ethylamino]-3-(4-methylphenyl)propanoyl]-methylamino]acetic acid (PubChem CID 167598590) has the molecular formula C144H214N18O28 and a molecular weight of 2645.39 g/mol. Its IUPAC name is benzyl (2S)-2-[[1-[[(1S)-1-cyclopentyl-2-[[(3S)-1-[[(4S,7S,8S)-7-[[(2S)-1-[(2S)-2-[ethyl-[(2S)-1-[methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-(4-methylphenyl)-1-oxopropan-2-yl]carbamoyl]azetidin-1-yl]-1-oxopropan-2-yl]-methylcarbamoyl]-2,8-dimethyl-5-oxodecan-4-yl]-methylamino]-1,4-dioxopentan-3-yl]-methylamino]-2-oxoethyl]-methylcarbamoyl]cyclopentyl]carbamoyl]pyrrolidine-1-carboxylate;2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,5S)-2-[(2S)-butan-2-yl]-5-[[(3S)-3-[[(2S)-2-cyclopentyl-2-[methyl-[1-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]cyclopentanecarbonyl]amino]acetyl]-methylamino]-4-oxopentanoyl]-methylamino]-7-methyl-4-oxooctanoyl]-methylamino]propanoyl]azetidine-2-carbonyl]-ethylamino]-3-(4-methylphenyl)propanoyl]-methylamino]acetic acid.

Molecular Properties

• Compound Name: benzyl (2S)-2-[[1-[[(1S)-1-cyclopentyl-2-[[(3S)-1-[[(4S,7S,8S)-7-[[(2S)-1-[(2S)-2-[ethyl-[(2S)-1-[methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-(4-methylphenyl)-1-oxopropan-2-yl]carbamoyl]azetidin-1-yl]-1-oxopropan-2-yl]-methylcarbamoyl]-2,8-dimethyl-5-oxodecan-4-yl]-methylamino]-1,4-dioxopentan-3-yl]-methylamino]-2-oxoethyl]-methylcarbamoyl]cyclopentyl]carbamoyl]pyrrolidine-1-carboxylate;2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,5S)-2-[(2S)-butan-2-yl]-5-[[(3S)-3-[[(2S)-2-cyclopentyl-2-[methyl-[1-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]cyclopentanecarbonyl]amino]acetyl]-methylamino]-4-oxopentanoyl]-methylamino]-7-methyl-4-oxooctanoyl]-methylamino]propanoyl]azetidine-2-carbonyl]-ethylamino]-3-(4-methylphenyl)propanoyl]-methylamino]acetic acid
• PubChem CID: 167598590
• Molecular Formula: C144H214N18O28
• Molecular Weight: 2645.39 g/mol
• Exact Mass: 2643.59
• IUPAC Name: benzyl (2S)-2-[[1-[[(1S)-1-cyclopentyl-2-[[(3S)-1-[[(4S,7S,8S)-7-[[(2S)-1-[(2S)-2-[ethyl-[(2S)-1-[methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-(4-methylphenyl)-1-oxopropan-2-yl]carbamoyl]azetidin-1-yl]-1-oxopropan-2-yl]-methylcarbamoyl]-2,8-dimethyl-5-oxodecan-4-yl]-methylamino]-1,4-dioxopentan-3-yl]-methylamino]-2-oxoethyl]-methylcarbamoyl]cyclopentyl]carbamoyl]pyrrolidine-1-carboxylate;2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,5S)-2-[(2S)-butan-2-yl]-5-[[(3S)-3-[[(2S)-2-cyclopentyl-2-[methyl-[1-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]cyclopentanecarbonyl]amino]acetyl]-methylamino]-4-oxopentanoyl]-methylamino]-7-methyl-4-oxooctanoyl]-methylamino]propanoyl]azetidine-2-carbonyl]-ethylamino]-3-(4-methylphenyl)propanoyl]-methylamino]acetic acid
• SMILES: CC[C@H](C)[C@H](CC(=O)[C@H](CC(C)C)N(C)C(=O)C[C@@H](C(C)=O)N(C)C(=O)[C@H](C1CCCC1)N(C)C(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)CCCC1)C(=O)N(C)[C@@H](C)C(=O)N1CC[C@H]1C(=O)N(CC)[C@@H](Cc1ccc(C)cc1)C(=O)N(C)CC(=O)O.CC[C@H](C)[C@H](CC(=O)[C@H](CC(C)C)N(C)C(=O)C[C@@H](C(C)=O)N(C)C(=O)[C@H](C1CCCC1)N(C)C(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)CCCC1)C(=O)N(C)[C@@H](C)C(=O)N1CC[C@H]1C(=O)N(CC)[C@@H](Cc1ccc(C)cc1)C(=O)N(C)CC(=O)OC(C)(C)C
• InChI: InChI=1S/C74H111N9O14.C70H103N9O14/c1-17-49(6)55(67(90)77(13)50(7)66(89)82-40-36-57(82)69(92)81(18-2)60(42-52-34-32-48(5)33-35-52)68(91)76(12)45-63(87)97-73(9,10)11)43-61(85)59(41-47(3)4)78(14)62(86)44-58(51(8)84)79(15)70(93)64(54-29-22-23-30-54)80(16)71(94)74(37-24-25-38-74)75-65(88)56-31-26-39-83(56)72(95)96-46-53-27-20-19-21-28-53;1-14-46(6)52(64(87)73(10)47(7)63(86)78-37-33-54(78)66(89)77(15-2)57(65(88)72(9)42-60(83)84)39-49-31-29-45(5)30-32-49)40-58(81)56(38-44(3)4)74(11)59(82)41-55(48(8)80)75(12)67(90)61(51-26-19-20-27-51)76(13)68(91)70(34-21-22-35-70)71-62(85)53-28-23-36-79(53)69(92)93-43-50-24-17-16-18-25-50/h19-21,27-28,32-35,47,49-50,54-60,64H,17-18,22-26,29-31,36-46H2,1-16H3,(H,75,88);16-18,24-25,29-32,44,46-47,51-57,61H,14-15,19-23,26-28,33-43H2,1-13H3,(H,71,85)(H,83,84)/t49-,50-,55-,56-,57-,58-,59-,60-,64-;46-,47-,52-,53-,54-,55-,56-,57-,61-/m00/s1
• InChIKey: JKINGLJPFOMQLE-RODMNAPWSA-N
• XLogP: 13.84
• TPSA: 533.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 62
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2645.39
LogP ≤ 5	13.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-[[1-[[(1S)-1-cyclopentyl-2-[[(3S)-1-[[(4S,7S,8S)-7-[[(2S)-1-[(2S)-2-[ethyl-[(2S)-1-[methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-(4-methylphenyl)-1-oxopropan-2-yl]carbamoyl]azetidin-1-yl]-1-oxopropan-2-yl]-methylcarbamoyl]-2,8-dimethyl-5-oxodecan-4-yl]-methylamino]-1,4-dioxopentan-3-yl]-methylamino]-2-oxoethyl]-methylcarbamoyl]cyclopentyl]carbamoyl]pyrrolidine-1-carboxylate;2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,5S)-2-[(2S)-butan-2-yl]-5-[[(3S)-3-[[(2S)-2-cyclopentyl-2-[methyl-[1-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]cyclopentanecarbonyl]amino]acetyl]-methylamino]-4-oxopentanoyl]-methylamino]-7-methyl-4-oxooctanoyl]-methylamino]propanoyl]azetidine-2-carbonyl]-ethylamino]-3-(4-methylphenyl)propanoyl]-methylamino]acetic acid?

The IUPAC name of benzyl (2S)-2-[[1-[[(1S)-1-cyclopentyl-2-[[(3S)-1-[[(4S,7S,8S)-7-[[(2S)-1-[(2S)-2-[ethyl-[(2S)-1-[methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-(4-methylphenyl)-1-oxopropan-2-yl]carbamoyl]azetidin-1-yl]-1-oxopropan-2-yl]-methylcarbamoyl]-2,8-dimethyl-5-oxodecan-4-yl]-methylamino]-1,4-dioxopentan-3-yl]-methylamino]-2-oxoethyl]-methylcarbamoyl]cyclopentyl]carbamoyl]pyrrolidine-1-carboxylate;2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,5S)-2-[(2S)-butan-2-yl]-5-[[(3S)-3-[[(2S)-2-cyclopentyl-2-[methyl-[1-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]cyclopentanecarbonyl]amino]acetyl]-methylamino]-4-oxopentanoyl]-methylamino]-7-methyl-4-oxooctanoyl]-methylamino]propanoyl]azetidine-2-carbonyl]-ethylamino]-3-(4-methylphenyl)propanoyl]-methylamino]acetic acid (CID 167598590) is benzyl (2S)-2-[[1-[[(1S)-1-cyclopentyl-2-[[(3S)-1-[[(4S,7S,8S)-7-[[(2S)-1-[(2S)-2-[ethyl-[(2S)-1-[methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-(4-methylphenyl)-1-oxopropan-2-yl]carbamoyl]azetidin-1-yl]-1-oxopropan-2-yl]-methylcarbamoyl]-2,8-dimethyl-5-oxodecan-4-yl]-methylamino]-1,4-dioxopentan-3-yl]-methylamino]-2-oxoethyl]-methylcarbamoyl]cyclopentyl]carbamoyl]pyrrolidine-1-carboxylate;2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,5S)-2-[(2S)-butan-2-yl]-5-[[(3S)-3-[[(2S)-2-cyclopentyl-2-[methyl-[1-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]cyclopentanecarbonyl]amino]acetyl]-methylamino]-4-oxopentanoyl]-methylamino]-7-methyl-4-oxooctanoyl]-methylamino]propanoyl]azetidine-2-carbonyl]-ethylamino]-3-(4-methylphenyl)propanoyl]-methylamino]acetic acid.

What is the SMILES notation for benzyl (2S)-2-[[1-[[(1S)-1-cyclopentyl-2-[[(3S)-1-[[(4S,7S,8S)-7-[[(2S)-1-[(2S)-2-[ethyl-[(2S)-1-[methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-(4-methylphenyl)-1-oxopropan-2-yl]carbamoyl]azetidin-1-yl]-1-oxopropan-2-yl]-methylcarbamoyl]-2,8-dimethyl-5-oxodecan-4-yl]-methylamino]-1,4-dioxopentan-3-yl]-methylamino]-2-oxoethyl]-methylcarbamoyl]cyclopentyl]carbamoyl]pyrrolidine-1-carboxylate;2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,5S)-2-[(2S)-butan-2-yl]-5-[[(3S)-3-[[(2S)-2-cyclopentyl-2-[methyl-[1-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]cyclopentanecarbonyl]amino]acetyl]-methylamino]-4-oxopentanoyl]-methylamino]-7-methyl-4-oxooctanoyl]-methylamino]propanoyl]azetidine-2-carbonyl]-ethylamino]-3-(4-methylphenyl)propanoyl]-methylamino]acetic acid?

The canonical SMILES for benzyl (2S)-2-[[1-[[(1S)-1-cyclopentyl-2-[[(3S)-1-[[(4S,7S,8S)-7-[[(2S)-1-[(2S)-2-[ethyl-[(2S)-1-[methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-(4-methylphenyl)-1-oxopropan-2-yl]carbamoyl]azetidin-1-yl]-1-oxopropan-2-yl]-methylcarbamoyl]-2,8-dimethyl-5-oxodecan-4-yl]-methylamino]-1,4-dioxopentan-3-yl]-methylamino]-2-oxoethyl]-methylcarbamoyl]cyclopentyl]carbamoyl]pyrrolidine-1-carboxylate;2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,5S)-2-[(2S)-butan-2-yl]-5-[[(3S)-3-[[(2S)-2-cyclopentyl-2-[methyl-[1-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]cyclopentanecarbonyl]amino]acetyl]-methylamino]-4-oxopentanoyl]-methylamino]-7-methyl-4-oxooctanoyl]-methylamino]propanoyl]azetidine-2-carbonyl]-ethylamino]-3-(4-methylphenyl)propanoyl]-methylamino]acetic acid is CC[C@H](C)[C@H](CC(=O)[C@H](CC(C)C)N(C)C(=O)C[C@@H](C(C)=O)N(C)C(=O)[C@H](C1CCCC1)N(C)C(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)CCCC1)C(=O)N(C)[C@@H](C)C(=O)N1CC[C@H]1C(=O)N(CC)[C@@H](Cc1ccc(C)cc1)C(=O)N(C)CC(=O)O.CC[C@H](C)[C@H](CC(=O)[C@H](CC(C)C)N(C)C(=O)C[C@@H](C(C)=O)N(C)C(=O)[C@H](C1CCCC1)N(C)C(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)CCCC1)C(=O)N(C)[C@@H](C)C(=O)N1CC[C@H]1C(=O)N(CC)[C@@H](Cc1ccc(C)cc1)C(=O)N(C)CC(=O)OC(C)(C)C.

What is the InChIKey of benzyl (2S)-2-[[1-[[(1S)-1-cyclopentyl-2-[[(3S)-1-[[(4S,7S,8S)-7-[[(2S)-1-[(2S)-2-[ethyl-[(2S)-1-[methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-(4-methylphenyl)-1-oxopropan-2-yl]carbamoyl]azetidin-1-yl]-1-oxopropan-2-yl]-methylcarbamoyl]-2,8-dimethyl-5-oxodecan-4-yl]-methylamino]-1,4-dioxopentan-3-yl]-methylamino]-2-oxoethyl]-methylcarbamoyl]cyclopentyl]carbamoyl]pyrrolidine-1-carboxylate;2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,5S)-2-[(2S)-butan-2-yl]-5-[[(3S)-3-[[(2S)-2-cyclopentyl-2-[methyl-[1-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]cyclopentanecarbonyl]amino]acetyl]-methylamino]-4-oxopentanoyl]-methylamino]-7-methyl-4-oxooctanoyl]-methylamino]propanoyl]azetidine-2-carbonyl]-ethylamino]-3-(4-methylphenyl)propanoyl]-methylamino]acetic acid?

The InChIKey is JKINGLJPFOMQLE-RODMNAPWSA-N. The full InChI is InChI=1S/C74H111N9O14.C70H103N9O14/c1-17-49(6)55(67(90)77(13)50(7)66(89)82-40-36-57(82)69(92)81(18-2)60(42-52-34-32-48(5)33-35-52)68(91)76(12)45-63(87)97-73(9,10)11)43-61(85)59(41-47(3)4)78(14)62(86)44-58(51(8)84)79(15)70(93)64(54-29-22-23-30-54)80(16)71(94)74(37-24-25-38-74)75-65(88)56-31-26-39-83(56)72(95)96-46-53-27-20-19-21-28-53;1-14-46(6)52(64(87)73(10)47(7)63(86)78-37-33-54(78)66(89)77(15-2)57(65(88)72(9)42-60(83)84)39-49-31-29-45(5)30-32-49)40-58(81)56(38-44(3)4)74(11)59(82)41-55(48(8)80)75(12)67(90)61(51-26-19-20-27-51)76(13)68(91)70(34-21-22-35-70)71-62(85)53-28-23-36-79(53)69(92)93-43-50-24-17-16-18-25-50/h19-21,27-28,32-35,47,49-50,54-60,64H,17-18,22-26,29-31,36-46H2,1-16H3,(H,75,88);16-18,24-25,29-32,44,46-47,51-57,61H,14-15,19-23,26-28,33-43H2,1-13H3,(H,71,85)(H,83,84)/t49-,50-,55-,56-,57-,58-,59-,60-,64-;46-,47-,52-,53-,54-,55-,56-,57-,61-/m00/s1.

What are the key properties of benzyl (2S)-2-[[1-[[(1S)-1-cyclopentyl-2-[[(3S)-1-[[(4S,7S,8S)-7-[[(2S)-1-[(2S)-2-[ethyl-[(2S)-1-[methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-(4-methylphenyl)-1-oxopropan-2-yl]carbamoyl]azetidin-1-yl]-1-oxopropan-2-yl]-methylcarbamoyl]-2,8-dimethyl-5-oxodecan-4-yl]-methylamino]-1,4-dioxopentan-3-yl]-methylamino]-2-oxoethyl]-methylcarbamoyl]cyclopentyl]carbamoyl]pyrrolidine-1-carboxylate;2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,5S)-2-[(2S)-butan-2-yl]-5-[[(3S)-3-[[(2S)-2-cyclopentyl-2-[methyl-[1-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]cyclopentanecarbonyl]amino]acetyl]-methylamino]-4-oxopentanoyl]-methylamino]-7-methyl-4-oxooctanoyl]-methylamino]propanoyl]azetidine-2-carbonyl]-ethylamino]-3-(4-methylphenyl)propanoyl]-methylamino]acetic acid?

benzyl (2S)-2-[[1-[[(1S)-1-cyclopentyl-2-[[(3S)-1-[[(4S,7S,8S)-7-[[(2S)-1-[(2S)-2-[ethyl-[(2S)-1-[methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-(4-methylphenyl)-1-oxopropan-2-yl]carbamoyl]azetidin-1-yl]-1-oxopropan-2-yl]-methylcarbamoyl]-2,8-dimethyl-5-oxodecan-4-yl]-methylamino]-1,4-dioxopentan-3-yl]-methylamino]-2-oxoethyl]-methylcarbamoyl]cyclopentyl]carbamoyl]pyrrolidine-1-carboxylate;2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,5S)-2-[(2S)-butan-2-yl]-5-[[(3S)-3-[[(2S)-2-cyclopentyl-2-[methyl-[1-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]cyclopentanecarbonyl]amino]acetyl]-methylamino]-4-oxopentanoyl]-methylamino]-7-methyl-4-oxooctanoyl]-methylamino]propanoyl]azetidine-2-carbonyl]-ethylamino]-3-(4-methylphenyl)propanoyl]-methylamino]acetic acid has a molecular weight of 2645.39 g/mol, XLogP of 13.84, 62 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl (2S)-2-[[1-[[(1S)-1-cyclopentyl-2-[[(3S)-1-[[(4S,7S,8S)-7-[[(2S)-1-[(2S)-2-[ethyl-[(2S)-1-[methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-(4-methylphenyl)-1-oxopropan-2-yl]carbamoyl]azetidin-1-yl]-1-oxopropan-2-yl]-methylcarbamoyl]-2,8-dimethyl-5-oxodecan-4-yl]-methylamino]-1,4-dioxopentan-3-yl]-methylamino]-2-oxoethyl]-methylcarbamoyl]cyclopentyl]carbamoyl]pyrrolidine-1-carboxylate;2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,5S)-2-[(2S)-butan-2-yl]-5-[[(3S)-3-[[(2S)-2-cyclopentyl-2-[methyl-[1-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]cyclopentanecarbonyl]amino]acetyl]-methylamino]-4-oxopentanoyl]-methylamino]-7-methyl-4-oxooctanoyl]-methylamino]propanoyl]azetidine-2-carbonyl]-ethylamino]-3-(4-methylphenyl)propanoyl]-methylamino]acetic acid is sourced from PubChem (CID 167598590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).