151606-42-7
AlkaPlorer ID: AK028594
Synonym: None
IUPAC Name: 2-[(3S,6S,9S,15S,18S,21S,24S)-15-[(2S)-butan-2-yl]-6-[(4-hydroxyphenyl)methyl]-18-methyl-21-(2-methylpropyl)-2,5,8,14,17,20,23-heptaoxo-1,4,7,13,16,19,22-heptazatricyclo[22.3.0.09,13]heptacosan-3-yl]acetic acid
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@H](C)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)N=C(O)[C@H](CC2=CC=C(O)C=C2)N=C(O)[C@@H]2CCCN2C1=O
InChI: InChI=1S/C38H55N7O10/c1-6-21(4)31-38(55)45-16-8-10-29(45)36(53)41-26(18-23-11-13-24(46)14-12-23)34(51)42-27(19-30(47)48)37(54)44-15-7-9-28(44)35(52)40-25(17-20(2)3)33(50)39-22(5)32(49)43-31/h11-14,20-22,25-29,31,46H,6-10,15-19H2,1-5H3,(H,39,50)(H,40,52)(H,41,53)(H,42,51)(H,43,49)(H,47,48)/t21-,22-,25-,26-,27-,28-,29-,31-/m0/s1
InChIKey: QBTIITFMJQCGKE-ACGLZCOSSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stylissa flabelliformis | Stylissa | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 769.897
TPSA？: 261.1
MolLogP？: 4.142600000000006
Number of H-Donors: 7
Number of H-Acceptors: 9
RingCount: 4