Molecule

(2S,5S,8S,11S,14R,15R)-8-benzyl-11-[(2S)-butan-2-yl]-2,5-diisopropyl-4,14,15-trimethyl-1,7-dioxa-4,10,13-triazacyclohexadecane-3,6,9,12,16-pentone

AlkaPlorer ID: AK055260

Synonym: None

IUPAC Name: (2S,5S,8S,11S,14R,15R)-8-benzyl-11-[(2S)-butan-2-yl]-4,14,15-trimethyl-2,5-di(propan-2-yl)-1,7-dioxa-4,10,13-triazacyclohexadecane-3,6,9,12,16-pentone

Structure

SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@H](C)[C@@H](C)NC1=O

InChI: InChI=1S/C31H47N3O7/c1-10-19(6)24-28(36)32-21(8)20(7)30(38)41-26(18(4)5)29(37)34(9)25(17(2)3)31(39)40-23(27(35)33-24)16-22-14-12-11-13-15-22/h11-15,17-21,23-26H,10,16H2,1-9H3,(H,32,36)(H,33,35)/t19-,20+,21+,23-,24-,25-,26-/m0/s1

InChIKey: RZDAFBXMVPFBRK-VOXLUHIMSA-N

Reference

Isolation, structure, and synthesis of dolastatin D, a cytotoxic cyclic depsipeptide from the sea gare Dolabella auricularia

PubChem CID: 10099606

LOTUS: LTS0258819

SuperNatural Ⅲ: SN0339191-02

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Dolabella auricularia	Dolabella	Aplysiidae	Aplysiida	Gastropoda	Mollusca	Metazoa	Eukaryota

Properties Information

Molecule Weight: 573.7310000000002

TPSA？: 131.11

MolLogP？: 2.8770000000000016

Number of H-Donors: 2

Number of H-Acceptors: 7

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi