(3S,9S,15S,18S,21S,24S,27S,30S,33S)-15,27,30-tribenzyl-21-[(2S)-butan-2-yl]-24-isopropyl-18-methyl-1,7,13,16,19,22,25,28,31-nonaazatetracyclo[31.3.0.0³,⁷.0⁹,¹³]hexatriacontane-2,8,14,17,20,23,26,29,32-nonone
AlkaPlorer ID: AK223449
Synonym: None
IUPAC Name: (3S,9S,15S,18S,21S,24S,27S,30S,33S)-15,27,30-tribenzyl-21-[(2S)-butan-2-yl]-18-methyl-24-propan-2-yl-1,7,13,16,19,22,25,28,31-nonazatetracyclo[31.3.0.03,7.09,13]hexatriacontane-2,8,14,17,20,23,26,29,32-nonone
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@H](C(C)C)N=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=CC=C2)N=C(O)[C@H](C)N=C1O
InChI: InChI=1S/C56H73N9O9/c1-6-35(4)47-53(71)57-36(5)48(66)60-42(33-39-23-14-9-15-24-39)54(72)64-29-17-26-44(64)56(74)65-30-18-27-45(65)55(73)63-28-16-25-43(63)51(69)59-40(31-37-19-10-7-11-20-37)49(67)58-41(32-38-21-12-8-13-22-38)50(68)61-46(34(2)3)52(70)62-47/h7-15,19-24,34-36,40-47H,6,16-18,25-33H2,1-5H3,(H,57,71)(H,58,67)(H,59,69)(H,60,66)(H,61,68)(H,62,70)/t35-,36-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1
InChIKey: PEOHMYWTILJIRG-ZDFGDACUSA-N
Reference
Two New Cyclic Peptides from <i>Drymaria diandra</i>
PubChem CID: 101044250
LOTUS: LTS0162224
SuperNatural Ⅲ: SN0283278-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Drymaria cordata | Drymaria | Caryophyllaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1016.2539999999992
TPSA？: 256.47
MolLogP？: 7.37370000000001
Number of H-Donors: 6
Number of H-Acceptors: 9
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|