Scytocyclamide A2
AlkaPlorer ID: AK328139
Synonym: None
IUPAC Name: 3-[(3E,6S,16S,19R,22S,25R,28R,31S,34S)-28-benzyl-19,22-bis[(2S)-butan-2-yl]-3-ethylidene-31-(2-hydroxyethyl)-16,25-bis(2-methylpropyl)-2,5,8,12,15,18,21,24,27,30,33-undecaoxo-10-pentyl-1,4,7,11,14,17,20,23,26,29,32-undecazabicyclo[32.3.0]heptatriacontan-6-yl]propanamide
Structure
SMILES: C/C=C1/NC(=O)[C@H](CCC(N)=O)NC(=O)CC(CCCCC)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CCO)NC(=O)[C@@H]2CCCN2C1=O
InChI: InChI=1S/C61H98N12O13/c1-11-15-17-23-40-33-49(76)65-42(25-26-48(62)75)54(79)66-41(14-4)61(86)73-28-20-24-47(73)58(83)67-43(27-29-74)55(80)69-46(32-39-21-18-16-19-22-39)56(81)68-45(31-36(7)8)57(82)71-52(38(10)13-3)60(85)72-51(37(9)12-2)59(84)70-44(30-35(5)6)53(78)63-34-50(77)64-40/h14,16,18-19,21-22,35-38,40,42-47,51-52,74H,11-13,15,17,20,23-34H2,1-10H3,(H2,62,75)(H,63,78)(H,64,77)(H,65,76)(H,66,79)(H,67,83)(H,68,81)(H,69,80)(H,70,84)(H,71,82)(H,72,85)/b41-14+/t37-,38-,40?,42-,43-,44-,45+,46+,47-,51+,52-/m0/s1
InChIKey: RKZXFUNWWLAGGB-UATNWESBSA-N
Reference
Shared PKS Module in Biosynthesis of Synergistic Laxaphycins
PubChem CID: 169492169
{NPAtlas: NPA032954
Source
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Properties Information
Molecule Weight: 1207.5260000000003
TPSA？: 374.6299999999999
MolLogP？: 1.0509999999999915
Number of H-Donors: 12
Number of H-Acceptors: 13
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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