165406-94-0
AlkaPlorer ID: AK049695
Synonym: None
IUPAC Name: (2S)-2-amino-N-[(1S,11S,14S,17S,20S,23S,33S)-23-benzyl-14-methyl-17-(2-methylpropyl)-12,15,18,21,24-pentaoxo-2,13,16,19,22,25-hexazaheptacyclo[18.11.1.11,22.12,9.03,8.026,31.025,33]tetratriaconta-3,5,7,9(34),26,28,30-heptaen-11-yl]-3-phenylpropanamide
Structure
SMILES: CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=CC=C2)CC2=CN(C3=CC=CC=C23)[C@]23C[C@H](NC1=O)C(=O)N1[C@H]2N(C(=O)[C@@H]1CC1=CC=CC=C1)C1=CC=CC=C13
InChI: InChI=1S/C49H52N8O6/c1-28(2)22-36-45(61)54-38-26-49(34-19-11-13-21-40(34)56-47(63)41(57(46(38)62)48(49)56)24-31-16-8-5-9-17-31)55-27-32(33-18-10-12-20-39(33)55)25-37(44(60)51-29(3)42(58)52-36)53-43(59)35(50)23-30-14-6-4-7-15-30/h4-21,27-29,35-38,41,48H,22-26,50H2,1-3H3,(H,51,60)(H,52,58)(H,53,59)(H,54,61)/t29-,35-,36-,37-,38-,41-,48+,49-/m0/s1
InChIKey: OPQHNERZELMQDK-ISTYLNHASA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Niphates olemda | Niphates | Niphatidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 849.005
TPSA？: 187.97
MolLogP？: 3.0461000000000107
Number of H-Donors: 5
Number of H-Acceptors: 8
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|