(S)-4-(3-((S)-6-(bis((1-(2-tert-butoxy-2-oxoethyl)-1H-imidazol-2-yl)methyl)amino)-1-tert-butoxy-1-oxohexan-2-yl)ureido)-5-tert-butoxy-5-oxopentanoic acid

HCID 59404337
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Basic information

Standard SMILES
CC(C)(C)OC(=O)Cn1ccnc1CN(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)Cc1nccn1CC(=O)OC(C)(C)C
InChIKey
BPYUHKIJYXVDHA-NSOVKSMOSA-N
Molecular formula
C40H65N7O11
Average molar mass
820 g/mol

Names & identifiers

Preferred name
(S)-4-(3-((S)-6-(bis((1-(2-tert-butoxy-2-oxoethyl)-1H-imidazol-2-yl)methyl)amino)-1-tert-butoxy-1-oxohexan-2-yl)ureido)-5-tert-butoxy-5-oxopentanoic acid
IUPAC
(4S)-4-[[(2S)-6-[bis[[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]imidazol-2-yl]methyl]amino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid

Names & synonyms

SCHEMBL2834575BPYUHKIJYXVDHA-NSOVKSMOSA-N(S)-4-(3-((S)-6-(bis((1-(2-tert-butoxy-2-oxoethyl)-1H-imidazol-2-yl)methyl)amino)-1-tert-butoxy-1-oxohexan-2-yl)ureido)-5-tert-butoxy-5-oxopentanoic acid

Database identifiers

PubChem CID
59404337

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
223 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
14
Rotatable bonds
28
Heavy atoms
58

Related reactions

8 records
New reaction record

Compound notes

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