Term: | Odilorhabdin NOSO-95B |
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Accession: | CHEBI:218839
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Synonyms: | exact_synonym: | (2S)-N-[(2S)-1-[[(2S,5S)-6-amino-1-[[(Z)-1-[[(2S)-6-amino-1-(4-aminobutylamino)-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopent-2-en-2-yl]amino]-5-hydroxy-1-oxohexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1-[(2R)-5-amino-2-[[2-[[(2S,3S)-4-amino-2-[[(2S,3S)-4-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]pentanoyl]pyrrolidine-2-carboxamide |
| related_synonym: | Formula=C54H101N23O13; InChI=1S/C54H101N23O13/c55-17-3-1-10-33(62)45(82)75-44(41(80)27-61)52(89)76-43(40(79)26-60)51(88)68-29-42(81)70-37(12-7-20-58)53(90)77-23-9-14-39(77)50(87)74-38(24-31-28-65-30-69-31)49(86)73-36(16-15-32(78)25-59)48(85)72-35(13-8-22-67-54(63)64)47(84)71-34(11-2-4-18-56)46(83)66-21-6-5-19-57/h13,28,30,32-34,36-41,43-44,78-80H,1-12,14-27,29,55-62H2,(H,65,69)(H,66,83)(H,68,88)(H,70,81)(H,71,84)(H,72,85)(H,73,86)(H,74,87)(H,75,82)(H,76,89)(H4,63,64,67)/b35-13-/t32-,33-,34-,36-,37+,38-,39-,40-,41-,43-,44-/m0/s1; InChIKey=UYHIETONVGCMMA-CCUWYPMBSA-N; SMILES=O=C(N[C@H](C(=O)NCCCCN)CCCCN)/C(/NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]1N(C(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)[C@@H](O)CN)CCCN)CCC1)CC=2NC=NC2)CC[C@H](O)CN)=C/CCN=C(N)N |
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