Callipeltin B
AlkaPlorer ID: AK291434
Synonym: None
IUPAC Name: N-[9-(3-amino-3-oxopropyl)-15-[3-(diaminomethylideneamino)propyl]-18-(1-hydroxyethyl)-6-[(4-hydroxyphenyl)-methoxymethyl]-3,4,10,22-tetramethyl-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21-yl]-3,4-dimethyl-5-oxopyrrolidine-2-carboxamide
Structure
SMILES: COC(C1=CC=C(O)C=C1)C1NC(=O)C(CCC(N)=O)N(C)C(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(C(C)O)NC(=O)C(NC(=O)C2NC(=O)C(C)C2C)C(C)OC(=O)C(C)N(C)C1=O
InChI: InChI=1S/C47H74N12O14/c1-21(2)20-30-44(69)59(9)31(17-18-32(48)62)40(65)57-36(37(72-10)27-13-15-28(61)16-14-27)45(70)58(8)24(5)46(71)73-26(7)35(56-41(66)33-22(3)23(4)38(63)54-33)43(68)55-34(25(6)60)42(67)52-29(39(64)53-30)12-11-19-51-47(49)50/h13-16,21-26,29-31,33-37,60-61H,11-12,17-20H2,1-10H3,(H2,48,62)(H,52,67)(H,53,64)(H,54,63)(H,55,68)(H,56,66)(H,57,65)(H4,49,50,51)
InChIKey: LDVDYMWYVBJGBO-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: 1031.179
TPSA？: 396.19999999999993
MolLogP？: -3.150830000000012
Number of H-Donors: 12
Number of H-Acceptors: 15
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|