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enalaprilat

enalaprilat

CAS: 76420-72-9

Formula: C18H24N2O5

SMILES: C[C@H](N[C@@H](CCC1=CC=CC=C1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O

IUPAC: (2S)-1-[(2S)-2-{[(1S)-1-carboxy-3-phenylpropyl]amino}propanoyl]pyrrolidine-2-carboxylic acid

InChI: InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1

Composition: C (62.05%), H (6.94%), N (8.04%), O (22.96%)

Molar Mass: 348.399

Atom Count: 49

Heavy Atom Count: 25

Properties
Properties
Common Names MK 421 diacid; enalapril acid; enalapril diacid; enalaprilat; enalaprilat (anhydrous); enalaprilat anhydrous; enalaprilate; enalaprilatum; enalaprilic acid
Aromatic Ring Count 1
Asymmetric Atom Count 3
Exact Mass 348.168521881
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 3
InChIKey LZFZMUMEGBBDTC-QEJZJMRPSA-N
Lipinski's Rule of Five 1
Molar Refractivity 90.06
Topological Polar Surface Area 106.94
Polarizability 35.51
Ring Count 2
Rotatable Bond Count 8

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