Didemnin A; Nω-(2-Hydroxypropanoyl)
AlkaPlorer ID: AK295574
Synonym: Didemnin C
IUPAC Name: N-[12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3,13-bis(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]-2-[2-hydroxypropanoyl(methyl)amino]-4-methylpentanamide
Structure
SMILES: COC1=CC=C(CC2C(=O)OC(C)C(NC(=O)C(CC(C)C)N(C)C(=O)C(C)O)C(=O)NC(CC(C)C)C(O)CC(=O)OC(C(C)C)C(=O)C(C)C(=O)NC(CC(C)C)C(=O)N3CCCC3C(=O)N2C)C=C1
InChI: InChI=1S/C52H82N6O14/c1-27(2)22-36-41(60)26-42(61)72-45(30(7)8)44(62)31(9)46(63)54-37(23-28(3)4)50(67)58-21-15-16-38(58)51(68)57(13)40(25-34-17-19-35(70-14)20-18-34)52(69)71-33(11)43(48(65)53-36)55-47(64)39(24-29(5)6)56(12)49(66)32(10)59/h17-20,27-33,36-41,43,45,59-60H,15-16,21-26H2,1-14H3,(H,53,65)(H,54,63)(H,55,64)
InChIKey: OTILJTAVUJCSHC-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tistrella mobilis | Tistrella | Geminicoccaceae | Geminicoccales | Alphaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1015.2559999999996
TPSA？: 267.59
MolLogP？: 2.3255000000000114
Number of H-Donors: 5
Number of H-Acceptors: 14
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|