None
AlkaPlorer ID: AK322821
Synonym: None
IUPAC Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]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](CS)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](CC1=CNC2=CC=CC=C12)C(O)=N[C@@H](CS)C(O)=N[C@@H](CC1=CN=CN1)C(=O)O
InChI: InChI=1S/C62H96N18O14S2/c1-8-33(6)49(78-50(82)34(7)70-53(85)43(27-81)74-55(87)45(29-96)76-58(90)48(32(4)5)77-51(83)38(63)15-11-19-67-62(64)65)60(92)80-21-13-18-47(80)57(89)72-41(22-31(2)3)59(91)79-20-12-17-46(79)56(88)71-40(23-35-25-68-39-16-10-9-14-37(35)39)52(84)75-44(28-95)54(86)73-42(61(93)94)24-36-26-66-30-69-36/h9-10,14,16,25-26,30-34,38,40-49,68,81,95-96H,8,11-13,15,17-24,27-29,63H2,1-7H3,(H,66,69)(H,70,85)(H,71,88)(H,72,89)(H,73,86)(H,74,87)(H,75,84)(H,76,90)(H,77,83)(H,78,82)(H,93,94)(H4,64,65,67)/t33-,34-,38-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
InChIKey: AMLCARLDZSLORO-BJLJLEDJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hoplobatrachus occipitalis | Hoplobatrachus | Dicroglossidae | Anura | Amphibia | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1381.6959999999997
TPSA？: 523.8500000000001
MolLogP？: 4.879270000000016
Number of H-Donors: 19
Number of H-Acceptors: 18
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | Inhibition | None | % | 10.1021/acs.jnatprod.6b00494 |