Mirabamide G
AlkaPlorer ID: AK092034
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]-3-[(R)-(4-hydroxyphenyl)-methoxymethyl]-15-(methoxymethyl)-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=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/C66H102ClN13O20/c1-16-32(5)26-33(6)18-23-45(83)66(12,97)65(96)71-29-47(85)73-42(17-2)57(88)76-49(36(9)68)59(90)75-48(34(7)35(8)55(69)86)58(89)77-50-53(31(3)4)100-64(95)44-27-40(67)24-25-80(44)63(94)51(54(99-15)39-19-21-41(82)22-20-39)78-61(92)52(38(11)81)79(13)62(93)37(10)72-46(84)28-70-56(87)43(30-98-14)74-60(50)91/h17-23,26,31-32,34-38,40,43-45,48-54,81-83,97H,16,24-25,27-30,68H2,1-15H3,(H2,69,86)(H,70,87)(H,71,96)(H,72,84)(H,73,85)(H,74,91)(H,75,90)(H,76,88)(H,77,89)(H,78,92)/b23-18-,33-26+,42-17-/t32-,34+,35-,36+,37+,38-,40+,43-,44+,45+,48+,49+,50-,51-,52+,53-,54-,66+/m1/s1
InChIKey: CHRQWEAARHYJPF-DLQNNXQZSA-N
Source
Properties Information
Molecule Weight: 1433.0659999999998
TPSA？: 529.7100000000002
MolLogP？: 5.672670000000019
Number of H-Donors: 16
Number of H-Acceptors: 21
RingCount: 3
Activities Information
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