UNPD50786
AlkaPlorer ID: AK075808
Synonym: None
IUPAC Name: (Z)-6-[(2R,5R,8R,11R,12S)-8-[(4-hydroxyphenyl)methyl]-5,12-dimethyl-3,6,9,13-tetraoxo-2-propan-2-yl-1,4,7,10-tetrazacyclotridec-11-yl]hex-4-enoic acid
Structure
SMILES: CC(C)[C@H]1N=C(O)[C@@H](C)[C@@H](C/C=C\CCC(=O)O)N=C(O)[C@@H](CC2=CC=C(O)C=C2)N=C(O)[C@@H](C)N=C1O
InChI: InChI=1S/C27H38N4O7/c1-15(2)23-27(38)28-17(4)25(36)30-21(14-18-10-12-19(32)13-11-18)26(37)29-20(16(3)24(35)31-23)8-6-5-7-9-22(33)34/h5-6,10-13,15-17,20-21,23,32H,7-9,14H2,1-4H3,(H,28,38)(H,29,37)(H,30,36)(H,31,35)(H,33,34)/b6-5-/t16-,17+,20+,21+,23+/m0/s1
InChIKey: QKNOLJBQLJGNKI-LFUPQXEOSA-N
Source
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Properties Information
Molecule Weight: 530.6220000000002
TPSA？: 187.89
MolLogP？: 4.371800000000002
Number of H-Donors: 6
Number of H-Acceptors: 6
RingCount: 2