762274-58-8
L-PROLINAMIDE, N-METHYL-L-ALANYL-(2S)-2-CYCLOHEXYLGLYCYL-N-[(1R)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL]-, MONOHYDROCHLORIDE
NameL-PROLINAMIDE, N-METHYL-L-ALANYL-(2S)-2-CYCLOHEXYLGLYCYL-N-[(1R)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL]-, MONOHYDROCHLORIDE
FormulaC27 H40 N4 O3 . Cl H
1Identification
【Name】
L-PROLINAMIDE, N-METHYL-L-ALANYL-(2S)-2-CYCLOHEXYLGLYCYL-N-[(1R)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL]-, MONOHYDROCHLORIDE
【CAS】
【MDL】
MFCD11977273
【English Synonyms】
【Formula】
C27 H40 N4 O3 . Cl H
【MolWeight】
505.099
【Inchi】
InChI=1S/C27H40N4O3.ClH/c1-18(28)25(32)29-24(20-11-4-3-5-12-20)27(34)31-17-9-16-23(31)26(33)30(2)22-15-8-13-19-10-6-7-14-21(19)22;/h6-7,10,14,18,20,22-24H,3-5,8-9,11-13,15-17,28H2,1-2H3,(H,29,32);1H/t18-,22+,23-,24-;/m0./s1
【InChIKey】
InChIKey=HTJWFYXCHULPCA-VOSOYEAFSA-N
【SMILES】
C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H]3CCCc4c3cccc4)N.Cl
【MOL File】
L-PROLINAMIDE, N-MET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
L-PROLINAMIDE, N-METHYL-L-ALANYL-(2S)-2-CYCLOHEXYLGLYCYL-N-[(1R)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL]-, MONOHYDROCHLORIDE.cml