2023-10-1 (5-L-asparagine-Eledoisin mono(trifluoroacetate) (salt),5-L-asparagine-Eledoisin mono(trifluoroacetate) (salt))

CAS号:
2023-10-1
中文名称:
5-L-asparagine-Eledoisin mono(trifluoroacetate) (salt)
英文名称:
5-L-asparagine-Eledoisin mono(trifluoroacetate) (salt)
分子式:
C56H87F3N14O16S
分子量:
1301.43440270424

5-L-asparagine-Eledoisin mono(trifluoroacetate) (salt)(2023-10-1)名称与标识符

标识符

InChIKey:
CMYSWQPKOUVMDA-JSMOHVFGSA-N
Inchi:
1S/C54H86N14O14S.C2HF3O2/c1-7-30(4)44(53(81)58-27-43(72)61-36(24-29(2)3)49(77)62-33(45(57)73)20-23-83-6)67-50(78)37(25-32-14-9-8-10-15-32)64-46(74)31(5)59-48(76)38(26-41(56)70)65-47(75)34(16-11-12-21-55)63-51(79)39(28-69)66-52(80)40-17-13-22-68(40)54(82)35-18-19-42(71)60-35;3-2(4,5)1(6)7/h8-10,14-15,29-31,33-40,44,69H,7,11-13,16-28,55H2,1-6H3,(H2,56,70)(H2,57,73)(H,58,81)(H,59,76)(H,60,71)(H,61,72)(H,62,77)(H,63,79)(H,64,74)(H,65,75)(H,66,80)(H,67,78);(H,6,7)/t30-,31-,33-,34-,35-,36-,37-,38-,39-,40-,44-;/m0./s1
SMILES:
C([C@H]1NC(CC1)=O)(N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N)CCSC)CC1C=CC=CC=1)=O.C(F)(F)(F)C(=O)O