91502-65-7
(3,4-DEHYDRO-PRO3)-TUFTSIN
Name(3,4-DEHYDRO-PRO3)-TUFTSIN
1Identification
【Name】
(3,4-DEHYDRO-PRO3)-TUFTSIN
【CAS】
【MDL】
MFCD00237300
【English Synonyms】
【Formula】
C21 H38 N8 O6
【MolWeight】
498.581
【Inchi】
InChI=1S/C21H38N8O6/c1-12(30)16(23)18(32)27-13(6-2-3-9-22)19(33)29-11-5-8-15(29)17(31)28-14(20(34)35)7-4-10-26-21(24)25/h5,8,12-16,30H,2-4,6-7,9-11,22-23H2,1H3,(H,27,32)(H,28,31)(H,34,35)(H4,24,25,26)/t12-,13+,14+,15+,16+/m1/s1
【InChIKey】
InChIKey=OHGJMPDANPWMKQ-YXMSTPNBSA-N
【SMILES】
C[C@H]([C@@H](C(=O)N[C@@H](CCCCN)C(=O)N1CC=C[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)N)O
【MOL File】
(3,4-DEHYDRO-PRO3)-T….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:9
H bond acceptor:14
XLogP3:-7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(3,4-DEHYDRO-PRO3)-TUFTSIN.cml