(2S)-1-[(2S)-2-{[(1R)-1-{[(3S,6R,7S,10R,11S,15S,17S,20S,25aS)-10-[(2S)-butan-2-yl]-11-hydroxy-15-isopropyl-3-[(4-methoxyphenyl)methyl]-2,6,17-trimethyl-20-(2-methylpropyl)-1,4,8,13,16,18,21-heptaoxo-tetradecahydro-3H-pyrrolo[2,1-f]1,15-dioxa-4,7,10,20-tet
AlkaPlorer ID: AK161923
Synonym: None
IUPAC Name: [(2S)-1-[(2S)-2-[[(2R)-1-[[(3S,6S,8S,12S,13R,16S,17R,20S,23S)-13-[(2S)-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-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl] (2S)-5-amino-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoate
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)OC(=O)[C@H](CCC(=N)O)N=C(O)[C@@H]2CCC(O)=N2)[C@@H](C)OC(=O)[C@H](CC2=CC=C(OC)C=C2)N(C)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/C67H102N10O19/c1-15-37(8)54-50(78)33-53(81)96-57(36(6)7)56(82)38(9)58(83)71-45(30-34(2)3)63(88)77-29-17-19-47(77)65(90)75(13)49(32-41-20-22-42(93-14)23-21-41)67(92)94-39(10)55(61(86)72-54)73-60(85)48(31-35(4)5)74(12)64(89)46-18-16-28-76(46)62(87)40(11)95-66(91)44(24-26-51(68)79)70-59(84)43-25-27-52(80)69-43/h20-23,34-40,43-50,54-55,57,78H,15-19,24-33H2,1-14H3,(H2,68,79)(H,69,80)(H,70,84)(H,71,83)(H,72,86)(H,73,85)/t37-,38-,39+,40-,43-,44-,45-,46-,47-,48+,49-,50-,54+,55-,57-/m0/s1
InChIKey: VHSSLKMDPXVAFW-VQGJMLBKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Trididemnum cyanophorum | Trididemnum | Didemnidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1351.6039999999994
TPSA？: 413.7000000000001
MolLogP？: 6.147770000000023
Number of H-Donors: 8
Number of H-Acceptors: 19
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|