Mirabamide E
AlkaPlorer ID: AK052119
Synonym: None
IUPAC Name: (2R,3S,4S)-4-[[(2S,3S)-3-amino-2-[[(Z)-2-[[2-[[(2S,3S,4Z,6E,8R)-2,3-dihydroxy-2,6,8-trimethyldeca-4,6-dienoyl]amino]acetyl]amino]but-2-enoyl]amino]butanoyl]amino]-N'-[(3R,6S,9S,15R,18R,19R,22S,24S)-24-chloro-6-[(1R)-1-hydroxyethyl]-15-(methoxymethyl)-3-[(R)-methoxy-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]methyl]-7,9-dimethyl-2,5,8,11,14,17,21-heptaoxo-19-propan-2-yl-20-oxa-1,4,7,10,13,16-hexazabicyclo[20.4.0]hexacosan-18-yl]-2,3-dimethylpentanediamide
Structure
SMILES: C/C=C(\N=C(O)CN=C(O)[C@@](C)(O)[C@@H](O)/C=C\C(C)=C\[C@H](C)CC)C(O)=N[C@H](C(O)=N[C@H](C(O)=N[C@H]1C(O)=N[C@H](COC)C(O)=NCC(O)=N[C@@H](C)C(=O)N(C)[C@@H]([C@@H](C)O)C(O)=N[C@H]([C@H](OC)C2=CC=C(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C=C2)C(=O)N2CC[C@H](Cl)C[C@H]2C(=O)O[C@@H]1C(C)C)[C@@H](C)[C@@H](C)C(=N)O)[C@H](C)N
InChI: InChI=1S/C72H112ClN13O24/c1-17-33(5)27-34(6)19-24-47(88)72(13,105)71(104)77-30-49(90)79-44(18-2)62(96)82-51(37(9)74)64(98)81-50(35(7)36(8)60(75)94)63(97)83-52-58(32(3)4)110-69(103)46-28-42(73)25-26-86(46)68(102)53(59(107-16)41-20-22-43(23-21-41)109-70-57(93)56(92)55(91)40(12)108-70)84-66(100)54(39(11)87)85(14)67(101)38(10)78-48(89)29-76-61(95)45(31-106-15)80-65(52)99/h18-24,27,32-33,35-40,42,45-47,50-59,70,87-88,91-93,105H,17,25-26,28-31,74H2,1-16H3,(H2,75,94)(H,76,95)(H,77,104)(H,78,89)(H,79,90)(H,80,99)(H,81,98)(H,82,96)(H,83,97)(H,84,100)/b24-19-,34-27+,44-18-/t33-,35+,36-,37+,38+,39-,40+,42+,45-,46+,47+,50+,51+,52-,53-,54+,55+,56-,57-,58-,59-,70+,72+/m1/s1
InChIKey: APTOZTHRCLKEEQ-KBQFWMGDSA-N
Source
Properties Information
Molecule Weight: 1579.208
TPSA？: 588.6300000000001
MolLogP？: 4.173370000000014
Number of H-Donors: 18
Number of H-Acceptors: 25
RingCount: 4
Activities Information
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