Callipeltin C
AlkaPlorer ID: AK291435
Synonym: None
IUPAC Name: 2-[[2-[[5-amino-2-[[2-[[2-[[2-[[2-[[5-amino-2-[[7-(diaminomethylideneamino)-2,3-dihydroxy-4-[2-[(3-hydroxy-2,4,6-trimethylheptanoyl)amino]propanoylamino]heptanoyl]amino]-3,4-dimethyl-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]-methylamino]-5-oxopentanoyl]amino]-3-(4-hydroxyphenyl)-3-methoxypropanoyl]-methylamino]propanoic acid
Structure
SMILES: COC(C1=CC=C(O)C=C1)C(N=C(O)C(CCC(=N)O)N(C)C(=O)C(CC(C)C)N=C(O)C(CCCNC(=N)N)N=C(O)C(N=C(O)C(N=C(O)C(N=C(O)C(O)C(O)C(CCCNC(=N)N)N=C(O)C(C)N=C(O)C(C)C(O)C(C)CC(C)C)C(C)C(C)C(=N)O)C(C)O)C(C)O)C(=O)N(C)C(C)C(=O)O
InChI: InChI=1S/C68H118N18O21/c1-30(2)28-32(5)51(91)35(8)56(95)77-36(9)57(96)78-42(18-16-26-75-67(71)72)52(92)53(93)63(102)81-47(33(6)34(7)55(70)94)60(99)82-49(39(12)88)62(101)83-48(38(11)87)61(100)79-43(19-17-27-76-68(73)74)58(97)80-44(29-31(3)4)64(103)86(14)45(24-25-46(69)90)59(98)84-50(65(104)85(13)37(10)66(105)106)54(107-15)40-20-22-41(89)23-21-40/h20-23,30-39,42-45,47-54,87-89,91-93H,16-19,24-29H2,1-15H3,(H2,69,90)(H2,70,94)(H,77,95)(H,78,96)(H,79,100)(H,80,97)(H,81,102)(H,82,99)(H,83,101)(H,84,98)(H,105,106)(H4,71,72,75)(H4,73,74,76)
InChIKey: OOUGOQQGAZDXOJ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Latrunculia | Latrunculiidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Callipelta | Neopeltidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1523.796999999999
TPSA？: 681.2100000000004
MolLogP？: 3.31707999999999
Number of H-Donors: 25
Number of H-Acceptors: 22
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|