Lagmysin

AlkaPlorer ID: AK107241

Synonym: None

IUPAC Name: None

Structure

SMILES: CC(C)C[C@H](N=C(O)[C@H](CC(C)C)N=C(O)[C@H](CO)N=C(O)[C@H](CC1=CN=CN1)N=C(O)CN=C(O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CC(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(O)=NCC(O)=N[C@@H](CO)C(=O)N2CCC[C@H]2C(O)=N1)C(=O)O

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InChI: InChI=1S/C67H109N19O21/c1-32(2)17-40(58(97)72-25-52(91)70-26-53(92)78-44(22-38-24-69-31-74-38)62(101)85-47(29-87)64(103)82-43(20-35(7)8)61(100)84-46(67(106)107)21-36(9)10)80-60(99)42(19-34(5)6)81-63(102)45-23-51(90)77-41(18-33(3)4)59(98)75-37(11)56(95)71-27-54(93)76-39(14-15-50(68)89)57(96)73-28-55(94)79-48(30-88)66(105)86-16-12-13-49(86)65(104)83-45/h24,31-37,39-49,87-88H,12-23,25-30H2,1-11H3,(H2,68,89)(H,69,74)(H,70,91)(H,71,95)(H,72,97)(H,73,96)(H,75,98)(H,76,93)(H,77,90)(H,78,92)(H,79,94)(H,80,99)(H,81,102)(H,82,103)(H,83,104)(H,84,100)(H,85,101)(H,106,107)/t37-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1

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InChIKey: ZTQPYZKGVGYZEI-MIHBLRRSSA-N

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Properties Information

Molecule Weight: 1516.721000000001

TPSA: 659.6800000000004

MolLogP: 6.384070000000011

Number of H-Donors: 21

Number of H-Acceptors: 21

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information