77327-06-1
AlkaPlorer ID: AK103600
Synonym: None
IUPAC Name: N-[13-butan-2-yl-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propyl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]-2-[2-hydroxypropanoyl(methyl)amino]-4-methylpentanamide
Structure
SMILES: CCCC1OC(=O)CC(O)C(C(C)CC)N=C(O)C(N=C(O)C(CC(C)C)N(C)C(=O)C(C)O)C(C)OC(=O)C(CC2=CC=C(OC)C=C2)N(C)C(=O)C2CCCN2C(=O)C(CC(C)C)N=C(O)C(C)C1=O
InChI: InChI=1S/C52H82N6O14/c1-14-17-41-45(62)31(8)46(63)53-36(24-28(3)4)50(67)58-23-16-18-37(58)51(68)57(12)39(26-34-19-21-35(70-13)22-20-34)52(69)71-33(10)44(48(65)54-43(30(7)15-2)40(60)27-42(61)72-41)55-47(64)38(25-29(5)6)56(11)49(66)32(9)59/h19-22,28-33,36-41,43-44,59-60H,14-18,23-27H2,1-13H3,(H,53,63)(H,54,65)(H,55,64)
InChIKey: DLUUHFDUSRYNBE-UHFFFAOYSA-N
Reference
Didemnins and Tunichlorin: Novel Natural Products from the Marine Tunicate Trididemnum solidum
PubChem CID: 154940
LOTUS: LTS0242878
COCONUT: CNP0017640
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Trididemnum solidum | Trididemnum | Didemnidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1015.2559999999996
TPSA？: 278.06
MolLogP？: 4.990500000000012
Number of H-Donors: 5
Number of H-Acceptors: 14
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|