Molecules/(4S,5R)-N-{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-N-[3-({[(4S,5R)-2-(2,3-dihydroxyphenyl)-5-met hyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)propyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide
(4S,5R)-N-{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-N-[3-({[(4S,5R)-2-(2,3-dihydroxyphenyl)-5-met hyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)propyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide
(2S,4S,5R)-N-[3-[3-[(2,3-dihydroxybenzoyl)amino]propyl-[(2S,4S,5R)-2-(2,3-dihydroxyphenyl)-5-methyl-1,3-oxazolidine-4-carbonyl]amino]propyl]-2-(2,3-dihydroxyphenyl)-5-methyl-1,3-oxazolidine-4-carboxamide
Molecular Identity
(4S,5R)-N-{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-N-[3-({[(4S,5R)-2-(2,3-dihydroxyphenyl)-5-met hyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)propyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide
(2S,4S,5R)-N-[3-[3-[(2,3-dihydroxybenzoyl)amino]propyl-[(2S,4S,5R)-2-(2,3-dihydroxyphenyl)-5-methyl-1,3-oxazolidine-4-carbonyl]amino]propyl]-2-(2,3-dihydroxyphenyl)-5-methyl-1,3-oxazolidine-4-carboxamide
PubChem CID: 56596545
2D Structure
Properties
C35H43N5O11
Molecular Formula
709.70
Molecular Weight
g/mol
709.2959
Exact Mass
Da
1.8
XLogP
Drug-like (Lipinski: < 5)
242
TPSA
May have limited oral absorption
10
H-Bond Donors
13
H-Bond Acceptors
1170
Complexity
SMILES
Canonical SMILES
SMILES: CC1C(NC(O1)C2=C(C(=CC=C2)O)O)C(=O)NCCCN(CCCNC(=O)C3=C(C(=CC=C3)O)O)C(=O)C4C(OC(N4)C5=C(C(=CC=C5)O)O)CIsomeric SMILES
SMILES: C[C@@H]1[C@H](N[C@@H](O1)C2=C(C(=CC=C2)O)O)C(=O)NCCCN(CCCNC(=O)C3=C(C(=CC=C3)O)O)C(=O)[C@@H]4[C@H](O[C@H](N4)C5=C(C(=CC=C5)O)O)CSynonyms(2)
(4S,5R)-N-{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-N-[3-({[(4S,5R)-2-(2,3-dihydroxyphenyl)-5-met hyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)propyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamideVBN
Data from PubChem (NCBI)
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Molecular Structure
(4S,5R)-N-{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-N-[3-({[(4S,5R)-2-(2,3-dihydroxyphenyl)-5-met hyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)propyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide
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Drug Network
Trials and conditions connected to (4S,5R)-N-{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-N-[3-({[(4S,5R)-2-(2,3-dihydroxyphenyl)-5-met hyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)propyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide
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