Tutuilamide B
AlkaPlorer ID: AK001038
Synonym: None
IUPAC Name: (2S)-N-[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2S)-2-[[(E)-4-chloro-3-methylbut-3-enoyl]amino]propanoyl]amino]-3-methylbutanamide
Structure
SMILES: C/C=C1\N=C(O)[C@@H](N=C(O)[C@@H](N=C(O)[C@H](C)N=C(O)C/C(C)=C/Cl)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)N=C(O)[C@H](CC2=CC=C(O)C=C2)N(C)C(=O)[C@H](CC2=CC=CC=C2)N2C(=O)[C@H](CC[C@H]2O)N=C1O
InChI: InChI=1S/C50H67ClN8O12/c1-10-34-44(64)54-35-20-21-39(62)59(48(35)68)37(24-31-14-12-11-13-15-31)49(69)58(9)36(23-32-16-18-33(60)19-17-32)45(65)56-41(27(4)5)50(70)71-30(8)42(47(67)53-34)57-46(66)40(26(2)3)55-43(63)29(7)52-38(61)22-28(6)25-51/h10-19,25-27,29-30,35-37,39-42,60,62H,20-24H2,1-9H3,(H,52,61)(H,53,67)(H,54,64)(H,55,63)(H,56,65)(H,57,66)/b28-25+,34-10-/t29-,30+,35-,36-,37-,39+,40-,41-,42-/m0/s1
InChIKey: PYLRNHULHGBIRT-AQSLWEGCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Schizothrix | Schizotrichaceae | Pseudanabaenales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 1007.583
TPSA？: 302.92
MolLogP？: 6.609500000000009
Number of H-Donors: 8
Number of H-Acceptors: 12
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|