845745-37-1
L-PROLINAMIDE, N-METHYL-L-ALANYL-3-METHYL-L-VALYL-N-[(1R)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL]-,HCL SALT
NameL-PROLINAMIDE, N-METHYL-L-ALANYL-3-METHYL-L-VALYL-N-[(1R)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL]-,HCL SALT
FormulaC25 H38 N4 O3 . Cl H
1Identification
【Name】
L-PROLINAMIDE, N-METHYL-L-ALANYL-3-METHYL-L-VALYL-N-[(1R)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL]-,HCL SALT
【CAS】
【MDL】
MFCD16038842
【English Synonyms】
【Formula】
C25 H38 N4 O3 . Cl H
【MolWeight】
479.061
【Inchi】
InChI=1S/C25H38N4O3.ClH/c1-16(26-5)22(30)28-21(25(2,3)4)24(32)29-15-9-14-20(29)23(31)27-19-13-8-11-17-10-6-7-12-18(17)19;/h6-7,10,12,16,19-21,26H,8-9,11,13-15H2,1-5H3,(H,27,31)(H,28,30);1H/t16-,19+,20-,21+;/m0./s1
【InChIKey】
InChIKey=CMFDULVBZVNDFI-RKVNAYBESA-N
【SMILES】
C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]2CCCc3c2cccc3)C(C)(C)C)NC.Cl
【MOL File】
L-PROLINAMIDE, N-MET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
L-PROLINAMIDE, N-METHYL-L-ALANYL-3-METHYL-L-VALYL-N-[(1R)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL]-,HCL SALT.cml