27-28
AlkaPlorer ID: AK003029
Synonym: '', 'Nostocyclopeptide', 'Nostocyclopeptide M1'
IUPAC Name: (3S,6S,12R,15R,18S,21R,24S,26S)-12-(2-hydroxyethyl)-15,18,21-tris[(4-hydroxyphenyl)methyl]-26-methyl-3-propan-2-yl-1,4,10,13,16,19,22-heptazatricyclo[22.3.0.06,10]heptacos-19-ene-2,5,11,14,17,23-hexone
Structure
SMILES: CC(C)[C@@H]1N=C(O)[C@@H]2CCCN2C(=O)[C@@H](CCO)N=C(O)[C@@H](CC2=CC=C(O)C=C2)N=C(O)[C@H](CC2=CC=C(O)C=C2)N=C[C@@H](CC2=CC=C(O)C=C2)N=C(O)[C@@H]2C[C@H](C)CN2C1=O
InChI: InChI=1S/C47H59N7O10/c1-27(2)41-47(64)54-26-28(3)21-40(54)45(62)49-32(22-29-6-12-33(56)13-7-29)25-48-37(23-30-8-14-34(57)15-9-30)42(59)51-38(24-31-10-16-35(58)17-11-31)43(60)50-36(18-20-55)46(63)53-19-4-5-39(53)44(61)52-41/h6-17,25,27-28,32,36-41,55-58H,4-5,18-24,26H2,1-3H3,(H,49,62)(H,50,60)(H,51,59)(H,52,61)/t28-,32+,36+,37-,38+,39-,40-,41-/m0/s1
InChIKey: DVUWQGYGLZYWGL-HBWMQSGFSA-N
Source
Properties Information
Molecule Weight: 882.0279999999999
TPSA？: 264.26
MolLogP？: 4.851100000000003
Number of H-Donors: 8
Number of H-Acceptors: 11
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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