(2R)-N-[(3S,6R,7S,10R,11S,15S,17S,20S,25aS)-10-[(2S)-butan-2-yl]-11-hydroxy-3-[(4-hydroxyphenyl)methyl]-15-isopropyl-6,17-dimethyl-20-(2-methylpropyl)-1,4,8,13,16,18,21-heptaoxo-hexadecahydropyrrolo[2,1-f]1,15-dioxa-4,7,10,20-tetraazacyclotricosan-7-yl]-2
AlkaPlorer ID: AK113435
Synonym: None
IUPAC Name: (2S)-N-[(2R)-1-[[(3S,6S,8S,12S,13R,16S,17R,20S,23S)-13-[(2S)-butan-2-yl]-12-hydroxy-20-[(4-hydroxyphenyl)methyl]-6,17-dimethyl-3-(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]amino]-4-methyl-1-oxopentan-2-yl]-1-[(2S)-2-hydroxypropanoyl]-N-methylpyrrolidine-2-carboxamide
Structure
SMILES: CC[C@H](C)[C@H]1N=C(O)[C@@H](N=C(O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C)O)[C@@H](C)OC(=O)[C@H](CC2=CC=C(O)C=C2)N=C(O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)N=C(O)[C@@H](C)C(=O)[C@H](C(C)C)OC(=O)C[C@@H]1O
InChI: InChI=1S/C55H85N7O15/c1-13-31(8)44-42(65)27-43(66)77-47(30(6)7)46(67)32(9)48(68)56-37(24-28(2)3)53(73)61-22-14-16-39(61)49(69)57-38(26-35-18-20-36(64)21-19-35)55(75)76-34(11)45(51(71)58-44)59-50(70)41(25-29(4)5)60(12)54(74)40-17-15-23-62(40)52(72)33(10)63/h18-21,28-34,37-42,44-45,47,63-65H,13-17,22-27H2,1-12H3,(H,56,68)(H,57,69)(H,58,71)(H,59,70)/t31-,32-,33-,34+,37-,38-,39-,40-,41+,42-,44+,45-,47-/m0/s1
InChIKey: GYNLTWNAFWQAEL-XELPBASLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Trididemnum cyanophorum | Trididemnum | Didemnidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1084.319
TPSA？: 321.65000000000003
MolLogP？: 5.032500000000012
Number of H-Donors: 7
Number of H-Acceptors: 15
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|