None
AlkaPlorer ID: AK323970
Synonym: None
IUPAC Name: (3S,9S,12S,15S,21S,24S,27S,30S)-9,21-dibenzyl-12-[(2S)-butan-2-yl]-27-(2-methylpropyl)-24-propan-2-yl-1,7,10,13,19,22,25,28-octazatetracyclo[28.3.0.03,7.015,19]tritriacontane-2,8,11,14,20,23,26,29-octone
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=CC=C2)N=C(O)[C@H](C(C)C)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=CC=C2)N=C1O
InChI: InChI=1S/C50H70N8O8/c1-7-32(6)42-47(63)53-37(29-34-19-12-9-13-20-34)49(65)58-26-16-23-40(58)50(66)57-25-15-21-38(57)44(60)51-35(27-30(2)3)43(59)54-41(31(4)5)46(62)52-36(28-33-17-10-8-11-18-33)48(64)56-24-14-22-39(56)45(61)55-42/h8-13,17-20,30-32,35-42H,7,14-16,21-29H2,1-6H3,(H,51,60)(H,52,62)(H,53,63)(H,54,59)(H,55,61)/t32-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
InChIKey: VMONHVSAHCJBRB-HBGYEDQKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 911.1579999999994
TPSA？: 223.88
MolLogP？: 6.832100000000009
Number of H-Donors: 5
Number of H-Acceptors: 8
RingCount: 6