stronger neominophagen C
(2S,3R,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;2-aminoacetic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid
Molecular Identity
stronger neominophagen C
(2S,3R,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;2-aminoacetic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid
PubChem CID: 174707
2D Structure
Properties
C52H85N3O22S2
Molecular Formula
1168.40
Molecular Weight
g/mol
1167.5066
Exact Mass
Da
483
TPSA
May have limited oral absorption
15
H-Bond Donors
27
H-Bond Acceptors
1950
Complexity
SMILES
Canonical SMILES
SMILES: CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C.CSCCC(C(=O)O)N.C(C(C(=O)O)N)S.C(C(=O)O)NIsomeric SMILES
SMILES: C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O.CSCC[C@@H](C(=O)O)N.C([C@@H](C(=O)O)N)S.C(C(=O)O)NSynonyms(5)
Stronger neominophagen Cstronger neo-minophagen C88863-96-1alpha-D-Glucopyranosiduronic acid, (3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucopyranuronosyl-, mixt. with L-cysteine, glycine and DL-methionineRefChem:186052
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to stronger neominophagen C
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