(2S)-2-[[(2S,5S,6R)-5-[[(2R,5S,6R)-5-[[(5S)-5-amino-4-oxo-6-(2H-tetrazol-5-yl)hexanoyl]amino]-2-[(2-fluorophenyl)methyl]-2-methyl-6-[(2-methylpropan-2-yl)oxy]-4-oxoheptanoyl]amino]-6-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]-4-oxoheptanoyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid

C50H79FN8O13 — CID 165080584

IUPAC(2S)-2-[[(2S,5S,6R)-5-[[(2R,5S,6R)-5-[[(5S)-5-amino-4-oxo-6-(2H-tetrazol-5-yl)hexanoyl]amino]-2-[(2-fluorophenyl)methyl]-2-methyl-6-[(2-methylpropan-2-yl)oxy]-4-oxoheptanoyl]amino]-6-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]-4-oxoheptanoyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
SMILESC[C@@H](OC(C)(C)C)[C@H](NC(=O)CCC(=O)[C@@H](N)Cc1nn[nH]n1)C(=O)C[C@@](C)(Cc1ccccc1F)C(=O)N[C@H](C(=O)C[C@@H](COC(C)(C)C)C(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)O)[C@@H](C)OC(C)(C)C
InChIInChI=1S/C50H79FN8O13/c1-28(70-47(6,7)8)41(36(61)22-31(27-69-46(3,4)5)43(65)53-34(44(66)67)24-40(64)72-49(12,13)14)55-45(68)50(15,25-30-18-16-17-19-32(30)51)26-37(62)42(29(2)71-48(9,10)11)54-39(63)21-20-35(60)33(52)23-38-56-58-59-57-38/h16-19,28-29,31,33-34,41-42H,20-27,52H2,1-15H3,(H,53,65)(H,54,63)(H,55,68)(H,66,67)(H,56,57,58,59)/t28-,29-,31+,33+,34+,41+,42+,50-/m1/s1
InChIKeyVATYRICBGLAYGT-UEBQFSIQSA-N
MW1019.22 g/mol
LogP3.83
Rot. Bonds28

About (2S)-2-[[(2S,5S,6R)-5-[[(2R,5S,6R)-5-[[(5S)-5-amino-4-oxo-6-(2H-tetrazol-5-yl)hexanoyl]amino]-2-[(2-fluorophenyl)methyl]-2-methyl-6-[(2-methylpropan-2-yl)oxy]-4-oxoheptanoyl]amino]-6-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]-4-oxoheptanoyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid

(2S)-2-[[(2S,5S,6R)-5-[[(2R,5S,6R)-5-[[(5S)-5-amino-4-oxo-6-(2H-tetrazol-5-yl)hexanoyl]amino]-2-[(2-fluorophenyl)methyl]-2-methyl-6-[(2-methylpropan-2-yl)oxy]-4-oxoheptanoyl]amino]-6-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]-4-oxoheptanoyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid (PubChem CID 165080584) has the molecular formula C50H79FN8O13 and a molecular weight of 1019.22 g/mol. Its IUPAC name is (2S)-2-[[(2S,5S,6R)-5-[[(2R,5S,6R)-5-[[(5S)-5-amino-4-oxo-6-(2H-tetrazol-5-yl)hexanoyl]amino]-2-[(2-fluorophenyl)methyl]-2-methyl-6-[(2-methylpropan-2-yl)oxy]-4-oxoheptanoyl]amino]-6-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]-4-oxoheptanoyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(2S,5S,6R)-5-[[(2R,5S,6R)-5-[[(5S)-5-amino-4-oxo-6-(2H-tetrazol-5-yl)hexanoyl]amino]-2-[(2-fluorophenyl)methyl]-2-methyl-6-[(2-methylpropan-2-yl)oxy]-4-oxoheptanoyl]amino]-6-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]-4-oxoheptanoyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
PubChem CID165080584
Molecular FormulaC50H79FN8O13
Molecular Weight1019.22 g/mol
Exact Mass1018.58
IUPAC Name(2S)-2-[[(2S,5S,6R)-5-[[(2R,5S,6R)-5-[[(5S)-5-amino-4-oxo-6-(2H-tetrazol-5-yl)hexanoyl]amino]-2-[(2-fluorophenyl)methyl]-2-methyl-6-[(2-methylpropan-2-yl)oxy]-4-oxoheptanoyl]amino]-6-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]-4-oxoheptanoyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
SMILESC[C@@H](OC(C)(C)C)[C@H](NC(=O)CCC(=O)[C@@H](N)Cc1nn[nH]n1)C(=O)C[C@@](C)(Cc1ccccc1F)C(=O)N[C@H](C(=O)C[C@@H](COC(C)(C)C)C(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)O)[C@@H](C)OC(C)(C)C
InChIInChI=1S/C50H79FN8O13/c1-28(70-47(6,7)8)41(36(61)22-31(27-69-46(3,4)5)43(65)53-34(44(66)67)24-40(64)72-49(12,13)14)55-45(68)50(15,25-30-18-16-17-19-32(30)51)26-37(62)42(29(2)71-48(9,10)11)54-39(63)21-20-35(60)33(52)23-38-56-58-59-57-38/h16-19,28-29,31,33-34,41-42H,20-27,52H2,1-15H3,(H,53,65)(H,54,63)(H,55,68)(H,66,67)(H,56,57,58,59)/t28-,29-,31+,33+,34+,41+,42+,50-/m1/s1
InChIKeyVATYRICBGLAYGT-UEBQFSIQSA-N
XLogP3.83
TPSA310.28 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds28
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001019.22
LogP ≤ 53.83
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze (2S)-2-[[(2S,5S,6R)-5-[[(2R,5S,6R)-5-[[(5S)-5-amino-4-oxo-6-(2H-tetrazol-5-yl)hexanoyl]amino]-2-[(2-fluorophenyl)methyl]-2-methyl-6-[(2-methylpropan-2-yl)oxy]-4-oxoheptanoyl]amino]-6-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]-4-oxoheptanoyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-amino-3-(2H-tetrazol-5-yl)propanoyl]amino]acetyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-3-(2-fluorophenyl)-2-methylpropanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 169300206
(2S)-2-[[(2S,5S,6R)-5-amino-6-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]-4-oxoheptanoyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 164962242
tert-butyl (3S,6R)-3-[[(2S,5S,6R)-5-[[(2R,5S,6R)-5-[(2-aminoacetyl)amino]-2-[(2-fluorophenyl)methyl]-2-methyl-6-[(2-methylpropan-2-yl)oxy]-4-oxoheptanoyl]amino]-6-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]-4-oxoheptanoyl]amino]-7-[[(4S)-1-[4-(2-amino-2-oxoethoxy)phenyl]-1-(2,4-dimethoxyphenyl)-3-oxo-7-(4-pentoxyphenyl)heptan-4-yl]amino]-6-[[4-(2-ethyl-4-methoxyphenyl)phenyl]methyl]-4,7-dioxoheptanoate
CID 165083568
(2R)-5-[[(2R,5S)-2-[(2R)-butan-2-yl]-5-[[(2R,5S)-5-[[(2S,5S,6R)-5-[[(2R,5S,6R)-2-[(2-fluorophenyl)methyl]-6-hydroxy-2-methyl-5-[[(5S)-5-(methylamino)-4-oxohexanoyl]amino]-4-oxoheptanoyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxoheptanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxo-6-(2H-tetrazol-5-yl)hexanoyl]amino]-6-hydroxy-4-oxohexanoyl]amino]-N,5-dimethyl-2-(2-methylpropyl)-4-oxohexanamide
CID 165035940
(3S,6R)-6-[[4-[4-(4-aminobutoxy)-2-ethylphenyl]phenyl]methyl]-7-[[(2S)-1-amino-5-(3,5-dimethylphenyl)-1-oxopentan-2-yl]amino]-3-[[(2S,5S,6R)-5-[[(2R,5S,6R)-5-[[(5S)-5-[[(2R,5S)-5-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-2-methyl-4-oxo-6-(1H-1,2,4-triazol-3-yl)hexanoyl]amino]-4-oxo-6-(2H-tetrazol-5-yl)hexanoyl]amino]-2-[(2-fluorophenyl)methyl]-6-hydroxy-2-methyl-4-oxoheptanoyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxoheptanoyl]amino]-4,7-dioxoheptanoic acid
CID 164962915
(3S,6R)-6-[[4-[4-(4-aminobutoxy)-2-ethylphenyl]phenyl]methyl]-7-[[(2S)-1-amino-5-(3,5-dimethylphenyl)-1-oxopentan-2-yl]amino]-3-[[(2S,5S,6R)-5-[[(2R,5S,6R)-5-[[(5S)-5-[(2-amino-2-methylpropanoyl)amino]-4-oxo-6-(2H-tetrazol-5-yl)hexanoyl]amino]-2-[(2-fluorophenyl)methyl]-6-hydroxy-2-methyl-4-oxoheptanoyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxoheptanoyl]amino]-4,7-dioxoheptanoic acid
CID 165001226
(3S,6R)-6-[[4-[4-(4-aminobutoxy)-2-ethylphenyl]phenyl]methyl]-7-[[(2S)-1-amino-5-(3,5-dimethylphenyl)-1-oxopentan-2-yl]amino]-3-[[(2S,5S,6R)-5-[[(2R,5S,6R)-5-[[(5S)-5-[[(2R,5S)-5-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-6-(1H-imidazol-5-yl)-2-methyl-4-oxohexanoyl]amino]-4-oxo-6-(2H-tetrazol-5-yl)hexanoyl]amino]-2-[(2-fluorophenyl)methyl]-6-hydroxy-2-methyl-4-oxoheptanoyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxoheptanoyl]amino]-4,7-dioxoheptanoic acid
CID 165094268
(3S,6R)-6-[[4-[4-(4-aminobutoxy)-2-ethylphenyl]phenyl]methyl]-7-[[(2S)-1-amino-5-(3,5-dimethylphenyl)-1-oxopentan-2-yl]amino]-3-[[(2S,5S,6R)-5-[[(2R,5S,6R)-5-[[(5S)-5-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-oxo-6-(2H-tetrazol-5-yl)hexanoyl]amino]-2-[(2-fluorophenyl)methyl]-6-hydroxy-2-methyl-4-oxoheptanoyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxoheptanoyl]amino]-4,7-dioxoheptanoic acid;(3S,6R)-6-[[4-[4-(4-aminobutoxy)-2-ethylphenyl]phenyl]methyl]-7-[[(2S)-1-amino-5-(3,5-dimethylphenyl)-1-oxopentan-2-yl]amino]-3-[[(2S,5S,6R)-5-[[(2R,5S,6R)-5-[[(5S)-5-[[(2R,5S)-5-amino-6-(1H-imidazol-5-yl)-2-methyl-4-oxohexanoyl]amino]-4-oxo-6-(2H-tetrazol-5-yl)hexanoyl]amino]-2-[(2-fluorophenyl)methyl]-6-hydroxy-2-methyl-4-oxoheptanoyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxoheptanoyl]amino]-4,7-dioxoheptanoic acid;(3S,6R)-6-[[4-[4-(4-aminobutoxy)-2-ethylphenyl]phenyl]methyl]-7-[[(2S)-1-amino-5-(3,5-dimethylphenyl)-1-oxopentan-2-yl]amino]-3-[[(2S,5S,6R)-5-[[(2R,5S,6R)-2-[(2-fluorophenyl)methyl]-6-hydroxy-5-[[(5S)-5-[[3-[2-(1H-imidazol-5-yl)ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]-4-oxo-6-(2H-tetrazol-5-yl)hexanoyl]amino]-2-methyl-4-oxoheptanoyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxoheptanoyl]amino]-4,7-dioxoheptanoic acid;(3S,6R)-7-[[(2S)-1-amino-5-(3,5-dimethylphenyl)-1-oxopentan-2-yl]amino]-6-[[4-[4-(4-azidobutoxy)-2-ethylphenyl]phenyl]methyl]-3-[[(2S,5S,6R)-5-[[(2R,5S,6R)-2-[(2-fluorophenyl)methyl]-6-hydroxy-5-[[(5S)-5-[[3-[2-(1H-imidazol-5-yl)ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]-4-oxo-6-(2H-tetrazol-5-yl)hexanoyl]amino]-2-methyl-4-oxoheptanoyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxoheptanoyl]amino]-4,7-dioxoheptanoic acid;sulfane
CID 164975907
(3S,6R)-7-[[(3S)-6-[4-(4-aminobutoxy)phenyl]-2-oxohexan-3-yl]amino]-6-[[4-(2-ethyl-4-methoxyphenyl)phenyl]methyl]-3-[[(2S,5S,6R)-5-[[(2R,5S,6R)-2-[(2-fluorophenyl)methyl]-6-hydroxy-5-[[(5S)-5-[[3-[2-(1H-imidazol-5-yl)ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]-4-oxo-6-(2H-tetrazol-5-yl)hexanoyl]amino]-2-methyl-4-oxoheptanoyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxoheptanoyl]amino]-4,7-dioxoheptanoic acid
CID 165045208
(3S,6R)-6-[[4-[4-(4-aminobutoxy)-2-ethylphenyl]phenyl]methyl]-7-[[(2S)-1-amino-5-(3,5-dimethylphenyl)-1-oxopentan-2-yl]amino]-3-[[(2S,5S,6R)-5-[[(2R,5S,6R)-2-[(2-fluorophenyl)methyl]-6-hydroxy-5-[[(5S)-5-[[(3S)-1-[2-(1H-imidazol-5-yl)ethyl]-3-methyl-2-oxopyrrolidine-3-carbonyl]amino]-4-oxo-6-(2H-tetrazol-5-yl)hexanoyl]amino]-2-methyl-4-oxoheptanoyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxoheptanoyl]amino]-4,7-dioxoheptanoic acid;sulfane
CID 165024435
(3S,6R)-6-[[4-[4-(4-aminobutoxy)-2-ethylphenyl]phenyl]methyl]-7-[[(2S)-1-amino-5-(3,5-dimethylphenyl)-1-oxopentan-2-yl]amino]-3-[[(2S,5S,6R)-5-[[(2R,5S,6R)-2-[(2-fluorophenyl)methyl]-6-hydroxy-5-[[(5S)-5-[[(3S)-1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-3-carbonyl]amino]-4-oxo-6-(2H-tetrazol-5-yl)hexanoyl]amino]-2-methyl-4-oxoheptanoyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxoheptanoyl]amino]-4,7-dioxoheptanoic acid;sulfane
CID 165071709
(3S,6R)-7-[[(2S)-1-amino-5-(3,5-dimethylphenyl)-1-oxopentan-2-yl]amino]-6-[[4-[2-ethyl-4-[(7S)-8-hydroxy-6-oxo-7-[[4-oxo-5-[[4-oxo-5-[[4-oxo-4-(3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl)butanoyl]amino]pentanoyl]amino]pentanoyl]amino]octoxy]phenyl]phenyl]methyl]-3-[[(2S,5S,6R)-5-[[(2R,5S,6R)-2-[(2-fluorophenyl)methyl]-6-hydroxy-5-[[(5S)-5-[[3-[2-(1H-imidazol-5-yl)ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]-4-oxo-6-(2H-tetrazol-5-yl)hexanoyl]amino]-2-methyl-4-oxoheptanoyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxoheptanoyl]amino]-4,7-dioxoheptanoic acid
CID 165109820

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S,5S,6R)-5-[[(2R,5S,6R)-5-[[(5S)-5-amino-4-oxo-6-(2H-tetrazol-5-yl)hexanoyl]amino]-2-[(2-fluorophenyl)methyl]-2-methyl-6-[(2-methylpropan-2-yl)oxy]-4-oxoheptanoyl]amino]-6-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]-4-oxoheptanoyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid?
The IUPAC name of (2S)-2-[[(2S,5S,6R)-5-[[(2R,5S,6R)-5-[[(5S)-5-amino-4-oxo-6-(2H-tetrazol-5-yl)hexanoyl]amino]-2-[(2-fluorophenyl)methyl]-2-methyl-6-[(2-methylpropan-2-yl)oxy]-4-oxoheptanoyl]amino]-6-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]-4-oxoheptanoyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid (CID 165080584) is (2S)-2-[[(2S,5S,6R)-5-[[(2R,5S,6R)-5-[[(5S)-5-amino-4-oxo-6-(2H-tetrazol-5-yl)hexanoyl]amino]-2-[(2-fluorophenyl)methyl]-2-methyl-6-[(2-methylpropan-2-yl)oxy]-4-oxoheptanoyl]amino]-6-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]-4-oxoheptanoyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid.
What is the SMILES notation for (2S)-2-[[(2S,5S,6R)-5-[[(2R,5S,6R)-5-[[(5S)-5-amino-4-oxo-6-(2H-tetrazol-5-yl)hexanoyl]amino]-2-[(2-fluorophenyl)methyl]-2-methyl-6-[(2-methylpropan-2-yl)oxy]-4-oxoheptanoyl]amino]-6-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]-4-oxoheptanoyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid?
The canonical SMILES for (2S)-2-[[(2S,5S,6R)-5-[[(2R,5S,6R)-5-[[(5S)-5-amino-4-oxo-6-(2H-tetrazol-5-yl)hexanoyl]amino]-2-[(2-fluorophenyl)methyl]-2-methyl-6-[(2-methylpropan-2-yl)oxy]-4-oxoheptanoyl]amino]-6-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]-4-oxoheptanoyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid is C[C@@H](OC(C)(C)C)[C@H](NC(=O)CCC(=O)[C@@H](N)Cc1nn[nH]n1)C(=O)C[C@@](C)(Cc1ccccc1F)C(=O)N[C@H](C(=O)C[C@@H](COC(C)(C)C)C(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)O)[C@@H](C)OC(C)(C)C.
What is the InChIKey of (2S)-2-[[(2S,5S,6R)-5-[[(2R,5S,6R)-5-[[(5S)-5-amino-4-oxo-6-(2H-tetrazol-5-yl)hexanoyl]amino]-2-[(2-fluorophenyl)methyl]-2-methyl-6-[(2-methylpropan-2-yl)oxy]-4-oxoheptanoyl]amino]-6-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]-4-oxoheptanoyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid?
The InChIKey is VATYRICBGLAYGT-UEBQFSIQSA-N. The full InChI is InChI=1S/C50H79FN8O13/c1-28(70-47(6,7)8)41(36(61)22-31(27-69-46(3,4)5)43(65)53-34(44(66)67)24-40(64)72-49(12,13)14)55-45(68)50(15,25-30-18-16-17-19-32(30)51)26-37(62)42(29(2)71-48(9,10)11)54-39(63)21-20-35(60)33(52)23-38-56-58-59-57-38/h16-19,28-29,31,33-34,41-42H,20-27,52H2,1-15H3,(H,53,65)(H,54,63)(H,55,68)(H,66,67)(H,56,57,58,59)/t28-,29-,31+,33+,34+,41+,42+,50-/m1/s1.
What are the key properties of (2S)-2-[[(2S,5S,6R)-5-[[(2R,5S,6R)-5-[[(5S)-5-amino-4-oxo-6-(2H-tetrazol-5-yl)hexanoyl]amino]-2-[(2-fluorophenyl)methyl]-2-methyl-6-[(2-methylpropan-2-yl)oxy]-4-oxoheptanoyl]amino]-6-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]-4-oxoheptanoyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid?
(2S)-2-[[(2S,5S,6R)-5-[[(2R,5S,6R)-5-[[(5S)-5-amino-4-oxo-6-(2H-tetrazol-5-yl)hexanoyl]amino]-2-[(2-fluorophenyl)methyl]-2-methyl-6-[(2-methylpropan-2-yl)oxy]-4-oxoheptanoyl]amino]-6-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]-4-oxoheptanoyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid has a molecular weight of 1019.22 g/mol, XLogP of 3.83, 28 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S,5S,6R)-5-[[(2R,5S,6R)-5-[[(5S)-5-amino-4-oxo-6-(2H-tetrazol-5-yl)hexanoyl]amino]-2-[(2-fluorophenyl)methyl]-2-methyl-6-[(2-methylpropan-2-yl)oxy]-4-oxoheptanoyl]amino]-6-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]-4-oxoheptanoyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid is sourced from PubChem (CID 165080584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).