
| CAS Number | 343268-91-7 |
| Catalog Number | AG01E7M8 |
| Chemical Name | OXA (17-33) acetate |
| IUPAC Name | (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[2-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoic acid |
| InChI | InChI=1S/C79H125N23O22/c1-15-41(10)64(78(123)100-55(25-40(8)9)77(122)102-65(45(14)103)79(124)95-52(66(82)111)22-37(2)3)101-62(108)34-86-68(113)43(12)91-69(114)44(13)92-73(118)57(28-48-31-84-36-89-48)99-76(121)58(29-59(81)105)93-61(107)33-85-67(112)42(11)90-60(106)32-87-71(116)56(27-47-30-83-35-88-47)98-75(120)54(24-39(6)7)97-74(119)53(23-38(4)5)96-72(117)51(20-21-63(109)110)94-70(115)50(80)26-46-16-18-49(104)19-17-46/h16-19,30-31,35-45,50-58,64-65,103-104H,15,20-29,32-34,80H2,1-14H3,(H2,81,105)(H2,82,111)(H,83,88)(H,84,89)(H,85,112)(H,86,113)(H,87,116)(H,90,106)(H,91,114)(H,92,118)(H,93,107)(H,94,115)(H,95,124)(H,96,117)(H,97,119)(H,98,120)(H,99,121)(H,100,123)(H,101,108)(H,102,122)(H,109,110)/t41-,42-,43-,44-,45+,50-,51-,52-,53-,54-,55-,56-,57-,58-,64-,65-/m0/s1 |
| InChI Key | JPRBZUXULYLVPJ-HYNYKCRDSA-N |
| MDL Number | MFCD30182260 |
| Molecular Formula | C69H108N20O18 |
| Molecular Weight | 1505.719 |
| SMILES | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C |
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