None
AlkaPlorer ID: AK385344
Synonym: None
IUPAC Name: (4S)-4-amino-5-[[(1R,7S,10S,13S,16S,19R,24R,27S,33S,36S,43R)-7-(4-aminobutyl)-13-benzyl-19-carbamoyl-16-(hydroxymethyl)-10,27-bis(1H-imidazol-5-ylmethyl)-36-methyl-2,5,8,11,14,17,25,28,34,37,44-undecaoxo-21,22,40,41-tetrathia-3,6,9,12,15,18,26,29,35,38,45-undecazatricyclo[22.14.7.029,33]pentatetracontan-43-yl]amino]-5-oxopentanoic acid
Structure
SMILES: C[C@@H]1N=C(O)[C@@H]2CCCN2C(=O)[C@H](CC2=CN=CN2)N=C(O)[C@@H]2CSSC[C@@H](C(=N)O)N=C(O)[C@H](CO)N=C(O)[C@H](CC3=CC=CC=C3)N=C(O)[C@H](CC3=CN=CN3)N=C(O)[C@H](CCCCN)N=C(O)CN=C(O)[C@H](CSSC[C@H](N=C(O)[C@@H](N)CCC(=O)O)C(O)=N2)N=C1O
InChI: InChI=1S/C57H81N19O16S4/c1-29-47(82)73-40-24-94-96-25-41(74-48(83)33(59)12-13-45(79)80)55(90)75-42(54(89)70-37(18-32-20-62-28-65-32)57(92)76-15-7-11-43(76)56(91)66-29)26-95-93-23-39(46(60)81)72-53(88)38(22-77)71-51(86)35(16-30-8-3-2-4-9-30)68-52(87)36(17-31-19-61-27-64-31)69-50(85)34(10-5-6-14-58)67-44(78)21-63-49(40)84/h2-4,8-9,19-20,27-29,33-43,77H,5-7,10-18,21-26,58-59H2,1H3,(H2,60,81)(H,61,64)(H,62,65)(H,63,84)(H,66,91)(H,67,78)(H,68,87)(H,69,85)(H,70,89)(H,71,86)(H,72,88)(H,73,82)(H,74,83)(H,75,90)(H,79,80)/t29-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-/m0/s1
InChIKey: GBQKLTZKGNZVHO-PVGVDLJESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Conus geographus | Conus | Conidae | Neogastropoda | Gastropoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1416.6600000000003
TPSA？: 589.8100000000002
MolLogP？: 4.017770000000011
Number of H-Donors: 19
Number of H-Acceptors: 23
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|