167710-83-0
AlkaPlorer ID: AK041226
Synonym: None
IUPAC Name: 3-[(3S,6S,12S,15S,21S,24S,27S,30S)-3,21,27-tribenzyl-24-[(2S)-butan-2-yl]-2,5,11,14,20,23,26,29-octaoxo-1,4,10,13,19,22,25,28-octazatetracyclo[28.3.0.06,10.015,19]tritriacontan-12-yl]propanamide
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=CC=C2)N=C(O)[C@@H]2CCCN2C(=O)[C@H](CCC(=N)O)N=C(O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=CC=C2)N=C1O
InChI: InChI=1S/C53H67N9O9/c1-3-33(2)45-50(68)58-40(32-36-20-11-6-12-21-36)53(71)61-28-14-22-41(61)47(65)55-37(25-26-44(54)63)51(69)60-27-13-24-43(60)49(67)57-39(31-35-18-9-5-10-19-35)52(70)62-29-15-23-42(62)48(66)56-38(46(64)59-45)30-34-16-7-4-8-17-34/h4-12,16-21,33,37-43,45H,3,13-15,22-32H2,1-2H3,(H2,54,63)(H,55,65)(H,56,66)(H,57,67)(H,58,68)(H,59,64)/t33-,37-,38-,39-,40-,41-,42-,43-,45-/m0/s1
InChIKey: ZIGSHEPERCJQHS-QXNLLLFYSA-N
Reference
Juanlimycins A and B, Ansamycin Macrodilactams from <i>Streptomyces</i> sp.
PubChem CID: 10056772
NPASS: NPC489557
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stylissa flabelliformis | Stylissa | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 974.1729999999995
TPSA？: 267.96
MolLogP？: 6.688170000000008
Number of H-Donors: 7
Number of H-Acceptors: 9
RingCount: 7