[Hap2]Didemnin B
AlkaPlorer ID: AK295578
Synonym: None
IUPAC Name: N-[1-[[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-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-(2-hydroxypropanoyl)-N-methylpyrrolidine-2-carboxamide
Structure
SMILES: CCC(C)C1NC(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)C2CCCN2C(=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)NC(=O)C(C)C(=O)COC(=O)CC1O
InChI: InChI=1S/C54H83N7O15/c1-13-31(6)45-42(63)27-44(65)75-28-43(64)32(7)47(66)55-37(24-29(2)3)51(70)61-23-15-17-39(61)53(72)59(11)41(26-35-18-20-36(74-12)21-19-35)54(73)76-34(9)46(49(68)56-45)57-48(67)40(25-30(4)5)58(10)52(71)38-16-14-22-60(38)50(69)33(8)62/h18-21,29-34,37-42,45-46,62-63H,13-17,22-28H2,1-12H3,(H,55,66)(H,56,68)(H,57,67)
InChIKey: ZRNPTSWODVOMPE-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Trididemnum cyanophorum | Trididemnum | Didemnidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1070.2919999999997
TPSA？: 287.9
MolLogP？: 1.2919000000000112
Number of H-Donors: 5
Number of H-Acceptors: 15
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|