Kahalalide V
AlkaPlorer ID: AK068208
Synonym: ''
IUPAC Name: (2S,3S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-[[(2R)-2-(butanoylamino)-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoic acid
Structure
SMILES: CCCC(O)=N[C@H](CC1=CC=CC=C1)C(O)=N[C@H](C(O)=N[C@H](CC1=CC=C(O)C=C1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@H](CC1=CC=C(O)C=C1)C(O)=N[C@H](C(=O)O)[C@@H](C)CC)[C@@H](C)O
InChI: InChI=1S/C47H65N9O11/c1-5-11-38(60)51-35(24-29-12-8-7-9-13-29)43(63)56-40(28(4)57)45(65)54-36(25-30-15-19-32(58)20-16-30)42(62)52-34(14-10-23-50-47(48)49)41(61)53-37(26-31-17-21-33(59)22-18-31)44(64)55-39(46(66)67)27(3)6-2/h7-9,12-13,15-22,27-28,34-37,39-40,57-59H,5-6,10-11,14,23-26H2,1-4H3,(H,51,60)(H,52,62)(H,53,61)(H,54,65)(H,55,64)(H,56,63)(H,66,67)(H4,48,49,50)/t27-,28+,34-,35+,36+,37+,39-,40-/m0/s1
InChIKey: SGZMHCQQOQOYCC-LMRUPLMXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Elysia rufescens | Elysia | Plakobranchidae | None | Gastropoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 932.089
TPSA？: 355.4300000000001
MolLogP？: 5.651170000000005
Number of H-Donors: 13
Number of H-Acceptors: 11
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|