(3S,9S,12S,15S,21S,24S,27S)-9-(4-aminobutyl)-12,21-bis[(4-hydroxyphenyl)methyl]-24-isopropyl-1,7,10,13,19,22,25-heptaazatetracyclo[25.3.0.0³,⁷.0¹⁵,¹⁹]triacontane-2,8,11,14,20,23,26-heptone
AlkaPlorer ID: AK082352
Synonym: None
IUPAC Name: (3S,9S,12S,15S,21S,24S,27S)-9-(4-aminobutyl)-12,21-bis[(4-hydroxyphenyl)methyl]-24-propan-2-yl-1,7,10,13,19,22,25-heptazatetracyclo[25.3.0.03,7.015,19]triacontane-2,8,11,14,20,23,26-heptone
Structure
SMILES: CC(C)[C@@H]1N=C(O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)N=C(O)[C@H](CC2=CC=C(O)C=C2)N=C(O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=C(O)C=C2)N=C1O
InChI: InChI=1S/C44H60N8O9/c1-26(2)37-41(58)48-33(25-28-14-18-30(54)19-15-28)43(60)50-21-5-9-34(50)39(56)47-32(24-27-12-16-29(53)17-13-27)38(55)46-31(8-3-4-20-45)42(59)52-23-7-11-36(52)44(61)51-22-6-10-35(51)40(57)49-37/h12-19,26,31-37,53-54H,3-11,20-25,45H2,1-2H3,(H,46,55)(H,47,56)(H,48,58)(H,49,57)/t31-,32-,33-,34-,35-,36-,37-/m0/s1
InChIKey: YWWLXTBSRGKFHI-PEAOEFARSA-N
Reference
Stylissamides E and F, Cyclic Heptapeptides from the Caribbean Sponge <i>Stylissa caribica</i>
PubChem CID: 23584276
LOTUS: LTS0236262
SuperNatural Ⅲ: SN0462471-01
NPASS: NPC285148
Source
Properties Information
Molecule Weight: 845.011
TPSA？: 257.77
MolLogP？: 3.955000000000007
Number of H-Donors: 7
Number of H-Acceptors: 10
RingCount: 6
Activities Information
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