(3S,4S,7Z,10S)-4-[[(2S,3R)-6-amino-2-[[(2S)-5,5-dichloro-2-[(2,2-dihydroxyacetyl)amino]-4-methyl-pentanoyl]amino]-3-hydroxy-hexanoyl]amino]-7-(chloromethylidene)-14-hydroxy-5,8,13-trioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.3.0]pentadec-16-ene-10-carboxylic acid
Molecular Formula:
C31H45Cl3N6O13
InChI: InChI=1/C31H45Cl3N6O13/c1-11(2)23-21(28(47)38-16(10-32)26(45)37-15(30(49)50)8-13-19(53-23)9-18(42)22(13)43)40-27(46)20(17(41)5-4-6-35)39-25(44)14(7-12(3)24(33)34)36-29(48)31(51)52/h10-12,14-15,17-18,20-21,23-24,31,41-42,51-52H,4-9,35H2,1-3H3,(H,36,48)(H,37,45)(H,38,47)(H,39,44)(H,40,46)(H,49,50)/b16-10-/t12u,14-,15-,17+,18?,20-,21-,23-/m0/s1/f/h36-40,49H
InChIKey: InChIKey=LMRCOCQPONDBMR-JGIBTTOJDS
SMILES: CC(C)C1C(C(=O)NC(=CCl)C(=O)NC(CC2=C(O1)CC(C2=O)O)C(=O)O)NC(=O)C(C(CCCN)O)NC(=O)C(CC(C)C(Cl)Cl)NC(=O)C(O)O
Names:
(3S,4S,7Z,10S)-4-[[(2S,3R)-6-amino-2-[[(2S)-5,5-dichloro-2-[(2,2-dihydroxyacetyl)amino]-4-methyl-pentanoyl]amino]-3-hydroxy-hexanoyl]amino]-7-(chloromethylidene)-14-hydroxy-5,8,13-trioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.3.0]pentadec-16-ene-10-carboxylic acid
Registries:
PubChem CID 9940696
PubChem ID 14913902
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