None
AlkaPlorer ID: AK322817
Synonym: None
IUPAC Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-1-[(2S,3R)-2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Structure
SMILES: CC[C@H](C)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N=C(O)[C@H](CS)N=C(O)[C@@H](N=C(O)[C@@H](N)CCCNC(=N)N)[C@@H](C)CC)[C@@H](C)O)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCSC)C(O)=N[C@@H](CS)C(O)=N[C@@H](CC1=CC=C(O)C=C1)C(=O)O
InChI: InChI=1S/C66H101N15O15S3/c1-7-36(3)51(76-54(84)42(67)18-12-27-70-66(68)69)61(91)75-47(35-98)57(87)78-53(38(5)82)64(94)81-30-15-21-50(81)60(90)77-52(37(4)8-2)63(93)80-29-14-20-49(80)59(89)72-44(32-39-16-10-9-11-17-39)62(92)79-28-13-19-48(79)58(88)71-43(26-31-99-6)55(85)74-46(34-97)56(86)73-45(65(95)96)33-40-22-24-41(83)25-23-40/h9-11,16-17,22-25,36-38,42-53,82-83,97-98H,7-8,12-15,18-21,26-35,67H2,1-6H3,(H,71,88)(H,72,89)(H,73,86)(H,74,85)(H,75,91)(H,76,84)(H,77,90)(H,78,87)(H,95,96)(H4,68,69,70)/t36-,37-,38+,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1
InChIKey: SQGGYSXDZHTVFN-GPOQWKKESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hoplobatrachus occipitalis | Hoplobatrachus | Dicroglossidae | Anura | Amphibia | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1440.8249999999998
TPSA？: 487.33000000000015
MolLogP？: 5.512070000000021
Number of H-Donors: 17
Number of H-Acceptors: 19
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli | Escherichia coli | Activity | nan | None | 10.1021/acs.jnatprod.6b00494 |
| Mus musculus | Mus musculus | Activity | nan | None | 10.1021/acs.jnatprod.6b00494 |
| Priestia megaterium | Priestia megaterium | Activity | nan | None | 10.1021/acs.jnatprod.6b00494 |
| Rattus norvegicus | Rattus norvegicus | Activity | nan | None | 10.1021/acs.jnatprod.6b00494 |
| None | NON-PROTEIN TARGET | Activity | nan | None | 10.1021/acs.jnatprod.6b00494 |
| None | Unchecked | Activity | 1.0 | 10'-9M | 10.1021/acs.jnatprod.6b00494 |
| None | Unchecked | Activity | 159.0 | % | 10.1021/acs.jnatprod.6b00494 |
| None | Unchecked | Activity | 395.0 | % | 10.1021/acs.jnatprod.6b00494 |
| None | Unchecked | Activity | nan | None | 10.1021/acs.jnatprod.6b00494 |