None
AlkaPlorer ID: AK323636
Synonym: None
IUPAC Name: (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2S)-5-amino-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid
Structure
SMILES: CC(C)C[C@H](N=C(O)[C@H](CCC(=N)O)N=C(O)[C@H](CC1=CC=C(O)C=C1)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H](N)CC1=CNC2=CC=CC=C12)C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CC1=CC=C(O)C=C1)C(=O)O
InChI: InChI=1S/C62H87N13O16/c1-33(2)27-47(59(87)69-43(11-7-8-26-63)55(83)75-50(62(90)91)30-36-14-18-39(77)19-15-36)72-57(85)45(21-24-52(66)79)71-61(89)49(29-35-12-16-38(76)17-13-35)74-60(88)48(28-34(3)4)73-58(86)46(22-25-53(80)81)70-56(84)44(20-23-51(65)78)68-54(82)41(64)31-37-32-67-42-10-6-5-9-40(37)42/h5-6,9-10,12-19,32-34,41,43-50,67,76-77H,7-8,11,20-31,63-64H2,1-4H3,(H2,65,78)(H2,66,79)(H,68,82)(H,69,87)(H,70,84)(H,71,89)(H,72,85)(H,73,86)(H,74,88)(H,75,83)(H,80,81)(H,90,91)/t41-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
InChIKey: FQJOZBOCLOHOSN-INXYWQKQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Momordica dioica | Momordica | Cucurbitaceae | Cucurbitales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1270.4530000000002
TPSA？: 531.7700000000001
MolLogP？: 8.336640000000013
Number of H-Donors: 19
Number of H-Acceptors: 16
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | ADMET | Drug metabolism | None | None | 10.1021/acs.jnatprod.8b00716 |