53342-16-8
CHLAMYDOCIN
Name
CHLAMYDOCIN
Formula
C28 H38 N4 O6
MolWeight
526.63
1Identification
【Name】
CHLAMYDOCIN
【CAS】
【MDL】
MFCD01074973
【English Synonyms】
【Formula】
C28 H38 N4 O6
【MolWeight】
526.63
【Inchi】
InChI=1S/C28H38N4O6/c1-28(2)27(37)30-20(16-18-10-5-3-6-11-18)26(36)32-15-9-13-21(32)25(35)29-19(24(34)31-28)12-7-4-8-14-22(33)23-17-38-23/h3,5-6,10-11,19-21,23H,4,7-9,12-17H2,1-2H3,(H,29,35)(H,30,37)(H,31,34)/t19-,20-,21+,23?/m0/s1
【InChIKey】
InChIKey=SGYJGGKDGBXCNY-ZDIDWYTNSA-N
【SMILES】
CC1(C(=O)N[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)N1)CCCCCC(=O)C3CO3)Cc4ccccc4)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:10
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CHLAMYDOCIN.cml
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