CB-182597

AlkaPlorer ID: AK030421

Synonym: None

IUPAC Name: None

Structure

SMILES: CCC(C)CCCCCCC(O)=N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=N[C@H](CCC(=O)O)C(O)=N[C@@H](CC(=N)O)C(O)=N[C@@H]1C(=O)N(C)CC(O)=N[C@@H](C)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@H](CCCCN)C(O)=N[C@@H](C(O)C(=O)O)C(O)=NCC(O)=N[C@H](CC(=N)O)C(O)=NC(C(C)CC(=O)O)C(O)=N[C@@H](C(C)CC)C(=O)O[C@@H]1C

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InChI: InChI=1S/C73H111N17O26/c1-9-35(3)19-13-11-12-14-23-51(93)80-45(28-40-32-77-42-21-16-15-20-41(40)42)65(106)83-44(24-25-54(96)97)63(104)85-47(30-50(76)92)68(109)88-59-39(7)116-73(115)58(36(4)10-2)87-70(111)57(37(5)27-55(98)99)86-67(108)46(29-49(75)91)81-52(94)33-78-69(110)60(61(102)72(113)114)89-64(105)43(22-17-18-26-74)82-66(107)48(31-56(100)101)84-62(103)38(6)79-53(95)34-90(8)71(59)112/h15-16,20-21,32,35-39,43-48,57-61,77,102H,9-14,17-19,22-31,33-34,74H2,1-8H3,(H2,75,91)(H2,76,92)(H,78,110)(H,79,95)(H,80,93)(H,81,94)(H,82,107)(H,83,106)(H,84,103)(H,85,104)(H,86,108)(H,87,111)(H,88,109)(H,89,105)(H,96,97)(H,98,99)(H,100,101)(H,113,114)/t35?,36?,37?,38-,39+,43+,44+,45-,46+,47-,48-,57?,58-,59-,60-,61?/m0/s1

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InChIKey: KAKYOQNTDNDQSB-QTIDSXHJSA-N

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Source

Properties Information

Molecule Weight: 1642.784

TPSA: 737.0900000000004

MolLogP: 6.974940000000005

Number of H-Donors: 23

Number of H-Acceptors: 23

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information