None
AlkaPlorer ID: AK322822
Synonym: None
IUPAC Name: (2S)-2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
Structure
SMILES: CC[C@H](C)[C@H](N=C(O)[C@H](C)N=C(O)[C@H](CO)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N=C(O)[C@@H](N)CCCNC(=N)N)C(C)C)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(O)=N[C@H](C(O)=N[C@@H](CS)C(O)=N[C@@H](CC1=CN=CN1)C(=O)O)[C@@H](C)CC
InChI: InChI=1S/C60H104N20O14S/c1-10-32(7)45(55(90)75-41(28-95)51(86)73-39(58(93)94)25-35-26-66-29-69-35)77-53(88)43-19-14-22-79(43)56(91)38(24-30(3)4)72-52(87)42-18-15-23-80(42)57(92)46(33(8)11-2)78-47(82)34(9)70-50(85)40(27-81)74-49(84)37(17-13-21-68-60(64)65)71-54(89)44(31(5)6)76-48(83)36(61)16-12-20-67-59(62)63/h26,29-34,36-46,81,95H,10-25,27-28,61H2,1-9H3,(H,66,69)(H,70,85)(H,71,89)(H,72,87)(H,73,86)(H,74,84)(H,75,90)(H,76,83)(H,77,88)(H,78,82)(H,93,94)(H4,62,63,67)(H4,64,65,68)/t32-,33-,34-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1
InChIKey: FFXKETHFEVCWGF-FPUJXEJCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hoplobatrachus occipitalis | Hoplobatrachus | Dicroglossidae | Anura | Amphibia | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1361.6849999999995
TPSA？: 569.9600000000002
MolLogP？: 3.534839999999991
Number of H-Donors: 20
Number of H-Acceptors: 18
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | Inhibition | None | % | 10.1021/acs.jnatprod.6b00494 |