(3S,6S,12S,15S,21S,24S,27S)-24-benzyl-21-[(2S)-butan-2-yl]-12-[(4-hydroxyphenyl)methyl]-3-(2-methylpropyl)-1,4,10,13,19,22,25-heptaazatetracyclo[25.3.0.0⁶,¹⁰.0¹⁵,¹⁹]triacontane-2,5,11,14,20,23,26-heptone
AlkaPlorer ID: AK052939
Synonym: None
IUPAC Name: (3S,6S,12S,15S,21S,24S,27S)-24-benzyl-21-[(2S)-butan-2-yl]-12-[(4-hydroxyphenyl)methyl]-3-(2-methylpropyl)-1,4,10,13,19,22,25-heptazatetracyclo[25.3.0.06,10.015,19]triacontane-2,5,11,14,20,23,26-heptone
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)N=C(O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=C(O)C=C2)N=C(O)[C@@H]2CCCN2C1=O
InChI: InChI=1S/C45H61N7O8/c1-5-28(4)38-45(60)52-23-11-16-37(52)42(57)48-34(26-30-17-19-31(53)20-18-30)44(59)51-22-10-15-36(51)41(56)47-33(24-27(2)3)43(58)50-21-9-14-35(50)40(55)46-32(39(54)49-38)25-29-12-7-6-8-13-29/h6-8,12-13,17-20,27-28,32-38,53H,5,9-11,14-16,21-26H2,1-4H3,(H,46,55)(H,47,56)(H,48,57)(H,49,54)/t28-,32-,33-,34-,35-,36-,37-,38-/m0/s1
InChIKey: ANSCENNXWQFDJG-KOOVRBLHSA-N
Source
Properties Information
Molecule Weight: 828.024
TPSA？: 211.52
MolLogP？: 5.556600000000006
Number of H-Donors: 5
Number of H-Acceptors: 8
RingCount: 6
Activities Information
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