190181-65-8
AlkaPlorer ID: AK066104
Synonym: None
IUPAC Name: 2,2-dimethyl-N-[(2S)-4-methyl-1-[methyl-[(2R)-1-oxo-3-phenyl-1-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propan-2-yl]amino]-1-oxopentan-2-yl]-3-oxohexanamide
Structure
SMILES: CCCC(=O)C(C)(C)C(O)=N[C@@H](CC(C)C)C(=O)N(C)[C@H](CC1=CC=CC=C1)C(O)=N[C@@H](CC1=CC=CC=C1)C1=NC=CS1
InChI: InChI=1S/C35H46N4O4S/c1-7-14-30(40)35(4,5)34(43)38-28(21-24(2)3)33(42)39(6)29(23-26-17-12-9-13-18-26)31(41)37-27(32-36-19-20-44-32)22-25-15-10-8-11-16-25/h8-13,15-20,24,27-29H,7,14,21-23H2,1-6H3,(H,37,41)(H,38,43)/t27-,28-,29+/m0/s1
InChIKey: UIDOZVWMHKZYAU-YTCPBCGMSA-N
Reference
Antineoplastic agents 370. Isolation and structure of dolastatin 18
PubChem CID: 11786880
LOTUS: LTS0186430
SuperNatural Ⅲ: SN0371114-04
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dolabella auricularia | Dolabella | Aplysiidae | Aplysiida | Gastropoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 618.8440000000002
TPSA？: 115.45
MolLogP？: 7.219700000000008
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|