(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-[(2-chlorophenyl)methoxycarbonylamino]-2-[[(2S,3R)-2-[[(2S)-4-[(2-chlorophenyl)methoxycarbonylamino]-2-(octanoylamino)butanoyl]amino]-3-phenylmethoxybutanoyl]amino]butanoyl]amino]butanoyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]acetyl]amino]acetyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]-3-phenylmethoxybutanoic acid

C98H121Cl5N16O24 — CID 25233892

IUPAC(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-[(2-chlorophenyl)methoxycarbonylamino]-2-[[(2S,3R)-2-[[(2S)-4-[(2-chlorophenyl)methoxycarbonylamino]-2-(octanoylamino)butanoyl]amino]-3-phenylmethoxybutanoyl]amino]butanoyl]amino]butanoyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]acetyl]amino]acetyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]-3-phenylmethoxybutanoic acid
SMILESCCCCCCCC(=O)N[C@@H](CCNC(=O)OCc1ccccc1Cl)C(=O)N[C@H](C(=O)N[C@@H](CCNC(=O)OCc1ccccc1Cl)C(=O)N[C@@H](CCN)C(=O)N[C@@H](CCNC(=O)OCc1ccccc1Cl)C(=O)NCC(=O)NCC(=O)N[C@@H](CCNC(=O)OCc1ccccc1Cl)C(=O)N[C@@H](CCNC(=O)OCc1ccccc1Cl)C(=O)N[C@H](C(=O)O)[C@@H](C)OCc1ccccc1)[C@@H](C)OCc1ccccc1
InChIInChI=1S/C98H121Cl5N16O24/c1-4-5-6-7-14-39-81(120)112-78(43-49-107-96(134)141-58-67-31-17-22-36-72(67)101)90(127)118-84(61(2)137-54-63-25-10-8-11-26-63)92(129)117-79(44-50-108-97(135)142-59-68-32-18-23-37-73(68)102)89(126)114-75(40-46-104)87(124)115-76(41-47-105-94(132)139-56-65-29-15-20-34-70(65)99)86(123)111-52-82(121)110-53-83(122)113-77(42-48-106-95(133)140-57-66-30-16-21-35-71(66)100)88(125)116-80(45-51-109-98(136)143-60-69-33-19-24-38-74(69)103)91(128)119-85(93(130)131)62(3)138-55-64-27-12-9-13-28-64/h8-13,15-38,61-62,75-80,84-85H,4-7,14,39-60,104H2,1-3H3,(H,105,132)(H,106,133)(H,107,134)(H,108,135)(H,109,136)(H,110,121)(H,111,123)(H,112,120)(H,113,122)(H,114,126)(H,115,124)(H,116,125)(H,117,129)(H,118,127)(H,119,128)(H,130,131)/t61-,62-,75+,76+,77+,78+,79+,80+,84+,85+/m1/s1
InChIKeyILUSRIXQYGNXOA-RMQKGILFSA-N
MW2084.40 g/mol
LogP8.95
Rot. Bonds61

About (2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-[(2-chlorophenyl)methoxycarbonylamino]-2-[[(2S,3R)-2-[[(2S)-4-[(2-chlorophenyl)methoxycarbonylamino]-2-(octanoylamino)butanoyl]amino]-3-phenylmethoxybutanoyl]amino]butanoyl]amino]butanoyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]acetyl]amino]acetyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]-3-phenylmethoxybutanoic acid

(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-[(2-chlorophenyl)methoxycarbonylamino]-2-[[(2S,3R)-2-[[(2S)-4-[(2-chlorophenyl)methoxycarbonylamino]-2-(octanoylamino)butanoyl]amino]-3-phenylmethoxybutanoyl]amino]butanoyl]amino]butanoyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]acetyl]amino]acetyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]-3-phenylmethoxybutanoic acid (PubChem CID 25233892) has the molecular formula C98H121Cl5N16O24 and a molecular weight of 2084.40 g/mol. Its IUPAC name is (2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-[(2-chlorophenyl)methoxycarbonylamino]-2-[[(2S,3R)-2-[[(2S)-4-[(2-chlorophenyl)methoxycarbonylamino]-2-(octanoylamino)butanoyl]amino]-3-phenylmethoxybutanoyl]amino]butanoyl]amino]butanoyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]acetyl]amino]acetyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]-3-phenylmethoxybutanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-[(2-chlorophenyl)methoxycarbonylamino]-2-[[(2S,3R)-2-[[(2S)-4-[(2-chlorophenyl)methoxycarbonylamino]-2-(octanoylamino)butanoyl]amino]-3-phenylmethoxybutanoyl]amino]butanoyl]amino]butanoyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]acetyl]amino]acetyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]-3-phenylmethoxybutanoic acid
PubChem CID25233892
Molecular FormulaC98H121Cl5N16O24
Molecular Weight2084.40 g/mol
Exact Mass2080.72
IUPAC Name(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-[(2-chlorophenyl)methoxycarbonylamino]-2-[[(2S,3R)-2-[[(2S)-4-[(2-chlorophenyl)methoxycarbonylamino]-2-(octanoylamino)butanoyl]amino]-3-phenylmethoxybutanoyl]amino]butanoyl]amino]butanoyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]acetyl]amino]acetyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]-3-phenylmethoxybutanoic acid
SMILESCCCCCCCC(=O)N[C@@H](CCNC(=O)OCc1ccccc1Cl)C(=O)N[C@H](C(=O)N[C@@H](CCNC(=O)OCc1ccccc1Cl)C(=O)N[C@@H](CCN)C(=O)N[C@@H](CCNC(=O)OCc1ccccc1Cl)C(=O)NCC(=O)NCC(=O)N[C@@H](CCNC(=O)OCc1ccccc1Cl)C(=O)N[C@@H](CCNC(=O)OCc1ccccc1Cl)C(=O)N[C@H](C(=O)O)[C@@H](C)OCc1ccccc1)[C@@H](C)OCc1ccccc1
InChIInChI=1S/C98H121Cl5N16O24/c1-4-5-6-7-14-39-81(120)112-78(43-49-107-96(134)141-58-67-31-17-22-36-72(67)101)90(127)118-84(61(2)137-54-63-25-10-8-11-26-63)92(129)117-79(44-50-108-97(135)142-59-68-32-18-23-37-73(68)102)89(126)114-75(40-46-104)87(124)115-76(41-47-105-94(132)139-56-65-29-15-20-34-70(65)99)86(123)111-52-82(121)110-53-83(122)113-77(42-48-106-95(133)140-57-66-30-16-21-35-71(66)100)88(125)116-80(45-51-109-98(136)143-60-69-33-19-24-38-74(69)103)91(128)119-85(93(130)131)62(3)138-55-64-27-12-9-13-28-64/h8-13,15-38,61-62,75-80,84-85H,4-7,14,39-60,104H2,1-3H3,(H,105,132)(H,106,133)(H,107,134)(H,108,135)(H,109,136)(H,110,121)(H,111,123)(H,112,120)(H,113,122)(H,114,126)(H,115,124)(H,116,125)(H,117,129)(H,118,127)(H,119,128)(H,130,131)/t61-,62-,75+,76+,77+,78+,79+,80+,84+,85+/m1/s1
InChIKeyILUSRIXQYGNXOA-RMQKGILFSA-N
XLogP8.95
TPSA564.43 Ų
H-Bond Donors17
H-Bond Acceptors24
Rotatable Bonds61
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002084.40
LogP ≤ 58.95
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze (2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-[(2-chlorophenyl)methoxycarbonylamino]-2-[[(2S,3R)-2-[[(2S)-4-[(2-chlorophenyl)methoxycarbonylamino]-2-(octanoylamino)butanoyl]amino]-3-phenylmethoxybutanoyl]amino]butanoyl]amino]butanoyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]acetyl]amino]acetyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]-3-phenylmethoxybutanoic acid with MolForge

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Related Compounds

(2S,3R)-2-[[(2S)-2-[[(2S)-4-acetamido-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-[(2-chlorophenyl)methoxycarbonylamino]-2-[[(2S,3R)-2-[[(2S)-4-[(2-chlorophenyl)methoxycarbonylamino]-2-(octanoylamino)butanoyl]amino]-3-phenylmethoxybutanoyl]amino]butanoyl]amino]butanoyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]butanoyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]-3-phenylmethoxybutanoic acid
CID 25233887
(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-[(2-chlorophenyl)methoxycarbonylamino]-2-[[(2S,3R)-2-[[(2S)-4-[(2-chlorophenyl)methoxycarbonylamino]-2-[[(2S)-4-[(2-chlorophenyl)methoxycarbonylamino]-2-[[(2S)-4-[(2-chlorophenyl)methoxycarbonylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]butanoyl]amino]butanoyl]amino]-3-phenylmethoxybutanoyl]amino]butanoyl]amino]butanoyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]-3-phenylmethoxybutanoic acid
CID 42603568
(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-[(2-chlorophenyl)methoxycarbonylamino]-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-phenylmethoxybutanoyl]amino]butanoyl]amino]butanoyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]-3-phenylmethoxybutanoic acid
CID 42603570
benzyl N-[(4S)-4-(docosanoylamino)-5-(dodecylamino)-5-oxopentyl]carbamate
CID 135364014
(2R)-6-[(2-chlorophenyl)methoxycarbonylamino]-2-(12-methoxydodecanoylamino)hexanoic acid
CID 54384463
benzyl N-[2-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-6-[(2-chlorophenyl)methoxycarbonylamino]-1-oxohexan-2-yl]amino]-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate
CID 155217397
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-phenylmethoxybutanoyl]amino]-3-phenylmethoxypropanoyl]amino]-5-oxo-5-phenylmethoxypentanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid
CID 131711187
4-[[5-(butylcarbamoyl)-9-[(2-chlorophenyl)methoxycarbonylamino]-3-oxo-1-phenylnonan-2-yl]amino]-4-oxobutanoic acid
CID 157083608
(2S)-2-[[(2S)-6-[(2-chlorophenyl)methoxycarbonylamino]-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]hexanoyl]amino]-4-methylpentanoic acid
CID 15940123
(2S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(pentadecanoylamino)butanoic acid
CID 169217785
(2S)-3-hydroxy-2-[[(2S)-3-methyl-2-[8-(phenylmethoxycarbonylamino)octanoylamino]butanoyl]amino]propanoic acid
CID 46930349
benzyl (3S)-3-(hexadecanoylamino)-4-oxo-4-(tetradecylamino)butanoate
CID 148549333

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-[(2-chlorophenyl)methoxycarbonylamino]-2-[[(2S,3R)-2-[[(2S)-4-[(2-chlorophenyl)methoxycarbonylamino]-2-(octanoylamino)butanoyl]amino]-3-phenylmethoxybutanoyl]amino]butanoyl]amino]butanoyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]acetyl]amino]acetyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]-3-phenylmethoxybutanoic acid?
The IUPAC name of (2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-[(2-chlorophenyl)methoxycarbonylamino]-2-[[(2S,3R)-2-[[(2S)-4-[(2-chlorophenyl)methoxycarbonylamino]-2-(octanoylamino)butanoyl]amino]-3-phenylmethoxybutanoyl]amino]butanoyl]amino]butanoyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]acetyl]amino]acetyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]-3-phenylmethoxybutanoic acid (CID 25233892) is (2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-[(2-chlorophenyl)methoxycarbonylamino]-2-[[(2S,3R)-2-[[(2S)-4-[(2-chlorophenyl)methoxycarbonylamino]-2-(octanoylamino)butanoyl]amino]-3-phenylmethoxybutanoyl]amino]butanoyl]amino]butanoyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]acetyl]amino]acetyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]-3-phenylmethoxybutanoic acid.
What is the SMILES notation for (2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-[(2-chlorophenyl)methoxycarbonylamino]-2-[[(2S,3R)-2-[[(2S)-4-[(2-chlorophenyl)methoxycarbonylamino]-2-(octanoylamino)butanoyl]amino]-3-phenylmethoxybutanoyl]amino]butanoyl]amino]butanoyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]acetyl]amino]acetyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]-3-phenylmethoxybutanoic acid?
The canonical SMILES for (2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-[(2-chlorophenyl)methoxycarbonylamino]-2-[[(2S,3R)-2-[[(2S)-4-[(2-chlorophenyl)methoxycarbonylamino]-2-(octanoylamino)butanoyl]amino]-3-phenylmethoxybutanoyl]amino]butanoyl]amino]butanoyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]acetyl]amino]acetyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]-3-phenylmethoxybutanoic acid is CCCCCCCC(=O)N[C@@H](CCNC(=O)OCc1ccccc1Cl)C(=O)N[C@H](C(=O)N[C@@H](CCNC(=O)OCc1ccccc1Cl)C(=O)N[C@@H](CCN)C(=O)N[C@@H](CCNC(=O)OCc1ccccc1Cl)C(=O)NCC(=O)NCC(=O)N[C@@H](CCNC(=O)OCc1ccccc1Cl)C(=O)N[C@@H](CCNC(=O)OCc1ccccc1Cl)C(=O)N[C@H](C(=O)O)[C@@H](C)OCc1ccccc1)[C@@H](C)OCc1ccccc1.
What is the InChIKey of (2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-[(2-chlorophenyl)methoxycarbonylamino]-2-[[(2S,3R)-2-[[(2S)-4-[(2-chlorophenyl)methoxycarbonylamino]-2-(octanoylamino)butanoyl]amino]-3-phenylmethoxybutanoyl]amino]butanoyl]amino]butanoyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]acetyl]amino]acetyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]-3-phenylmethoxybutanoic acid?
The InChIKey is ILUSRIXQYGNXOA-RMQKGILFSA-N. The full InChI is InChI=1S/C98H121Cl5N16O24/c1-4-5-6-7-14-39-81(120)112-78(43-49-107-96(134)141-58-67-31-17-22-36-72(67)101)90(127)118-84(61(2)137-54-63-25-10-8-11-26-63)92(129)117-79(44-50-108-97(135)142-59-68-32-18-23-37-73(68)102)89(126)114-75(40-46-104)87(124)115-76(41-47-105-94(132)139-56-65-29-15-20-34-70(65)99)86(123)111-52-82(121)110-53-83(122)113-77(42-48-106-95(133)140-57-66-30-16-21-35-71(66)100)88(125)116-80(45-51-109-98(136)143-60-69-33-19-24-38-74(69)103)91(128)119-85(93(130)131)62(3)138-55-64-27-12-9-13-28-64/h8-13,15-38,61-62,75-80,84-85H,4-7,14,39-60,104H2,1-3H3,(H,105,132)(H,106,133)(H,107,134)(H,108,135)(H,109,136)(H,110,121)(H,111,123)(H,112,120)(H,113,122)(H,114,126)(H,115,124)(H,116,125)(H,117,129)(H,118,127)(H,119,128)(H,130,131)/t61-,62-,75+,76+,77+,78+,79+,80+,84+,85+/m1/s1.
What are the key properties of (2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-[(2-chlorophenyl)methoxycarbonylamino]-2-[[(2S,3R)-2-[[(2S)-4-[(2-chlorophenyl)methoxycarbonylamino]-2-(octanoylamino)butanoyl]amino]-3-phenylmethoxybutanoyl]amino]butanoyl]amino]butanoyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]acetyl]amino]acetyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]-3-phenylmethoxybutanoic acid?
(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-[(2-chlorophenyl)methoxycarbonylamino]-2-[[(2S,3R)-2-[[(2S)-4-[(2-chlorophenyl)methoxycarbonylamino]-2-(octanoylamino)butanoyl]amino]-3-phenylmethoxybutanoyl]amino]butanoyl]amino]butanoyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]acetyl]amino]acetyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]-3-phenylmethoxybutanoic acid has a molecular weight of 2084.40 g/mol, XLogP of 8.95, 61 rotatable bonds, 17 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-[(2-chlorophenyl)methoxycarbonylamino]-2-[[(2S,3R)-2-[[(2S)-4-[(2-chlorophenyl)methoxycarbonylamino]-2-(octanoylamino)butanoyl]amino]-3-phenylmethoxybutanoyl]amino]butanoyl]amino]butanoyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]acetyl]amino]acetyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]-4-[(2-chlorophenyl)methoxycarbonylamino]butanoyl]amino]-3-phenylmethoxybutanoic acid is sourced from PubChem (CID 25233892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).